----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.503232390000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002714770000001 Atomic positions (fractional): *1 Dy 0.85701014515956 0.25000000000000 0.11164694285596 162.500 2 Dy 0.35701014515956 0.25000000000000 0.38835305714404 162.500 3 Dy 0.64298985484044 0.75000000000000 0.61164694285596 162.500 4 Dy 0.14298985484044 0.75000000000000 0.88835305714404 162.500 *5 H 0.60496537214312 0.25000000000000 0.14059474988465 1.008 6 H 0.10496537214312 0.25000000000000 0.35940525011535 1.008 7 H 0.89503462785688 0.75000000000000 0.64059474988466 1.008 8 H 0.39503462785688 0.75000000000000 0.85940525011534 1.008 *9 O 0.07169107274045 0.25000000000000 0.16798225668129 15.999 *10 O 0.31433558440431 0.75000000000000 0.13546486611382 15.999 11 O 0.81433558440431 0.75000000000000 0.36453513388617 15.999 12 O 0.57169107274045 0.25000000000000 0.33201774331871 15.999 13 O 0.42830892725955 0.75000000000000 0.66798225668129 15.999 14 O 0.18566441559569 0.25000000000000 0.63546486611383 15.999 15 O 0.68566441559569 0.25000000000000 0.86453513388617 15.999 16 O 0.92830892725955 0.75000000000000 0.83201774331871 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.503232390000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002714770000001 Atomic positions (fractional): *1 Dy 0.85701014515956 0.25000000000000 0.11164694285596 162.500 > 1 2 Dy 0.35701014515956 0.25000000000000 0.38835305714404 162.500 > 2 3 Dy 0.64298985484044 0.75000000000000 0.61164694285596 162.500 > 3 4 Dy 0.14298985484044 0.75000000000000 0.88835305714404 162.500 > 4 *5 H 0.60496537214312 0.25000000000000 0.14059474988466 1.008 > 5 6 H 0.10496537214312 0.25000000000000 0.35940525011535 1.008 > 6 7 H 0.89503462785688 0.75000000000000 0.64059474988466 1.008 > 7 8 H 0.39503462785688 0.75000000000000 0.85940525011534 1.008 > 8 *9 O 0.07169107274045 0.25000000000000 0.16798225668129 15.999 > 9 *10 O 0.31433558440431 0.75000000000000 0.13546486611382 15.999 > 10 11 O 0.81433558440431 0.75000000000000 0.36453513388617 15.999 > 11 12 O 0.57169107274045 0.25000000000000 0.33201774331871 15.999 > 12 13 O 0.42830892725955 0.75000000000000 0.66798225668129 15.999 > 13 14 O 0.18566441559569 0.25000000000000 0.63546486611383 15.999 > 14 15 O 0.68566441559569 0.25000000000000 0.86453513388617 15.999 > 15 16 O 0.92830892725955 0.75000000000000 0.83201774331871 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.509697170000003 0.000000000000000 c 0.000000000000000 0.000000000000000 15.008144310000002 Atomic positions (fractional): *1 Dy 0.85701014515956 0.08333333333333 0.03721564761865 162.500 > 1 2 Dy 0.85701014515956 0.41666666666667 0.03721564761865 162.500 > 1 3 Dy 0.85701014515956 0.75000000000000 0.03721564761865 162.500 > 1 4 Dy 0.85701014515956 0.08333333333333 0.37054898095199 162.500 > 1 5 Dy 0.85701014515956 0.41666666666667 0.37054898095199 162.500 > 1 6 Dy 0.85701014515956 0.75000000000000 0.37054898095199 162.500 > 1 7 Dy 0.85701014515956 0.08333333333333 0.70388231428532 162.500 > 1 8 Dy 0.85701014515956 0.41666666666667 0.70388231428532 162.500 > 1 9 Dy 0.85701014515956 0.75000000000000 0.70388231428532 162.500 > 1 10 Dy 0.35701014515956 0.08333333333333 0.12945101904801 162.500 > 2 11 Dy 0.35701014515956 0.41666666666667 0.12945101904801 162.500 > 2 12 Dy 0.35701014515956 0.75000000000000 0.12945101904801 162.500 > 2 13 Dy 0.35701014515956 0.08333333333333 0.46278435238135 162.500 > 2 14 Dy 0.35701014515956 0.41666666666667 0.46278435238135 162.500 > 2 15 Dy 0.35701014515956 0.75000000000000 0.46278435238135 162.500 > 2 16 Dy 0.35701014515956 0.08333333333333 0.79611768571468 162.500 > 2 17 Dy 0.35701014515956 0.41666666666667 0.79611768571468 162.500 > 2 18 Dy 0.35701014515956 0.75000000000000 0.79611768571468 162.500 > 2 19 Dy 0.64298985484044 0.25000000000000 0.20388231428532 162.500 > 3 20 Dy 0.64298985484044 0.58333333333333 0.20388231428532 162.500 > 3 21 Dy 0.64298985484044 0.91666666666667 0.20388231428532 162.500 > 3 22 Dy 0.64298985484044 0.25000000000000 0.53721564761865 162.500 > 3 23 Dy 0.64298985484044 0.58333333333333 0.53721564761865 162.500 > 3 24 Dy 0.64298985484044 0.91666666666667 0.53721564761865 162.500 > 3 25 Dy 0.64298985484044 0.25000000000000 0.87054898095199 162.500 > 3 26 Dy 0.64298985484044 0.58333333333333 0.87054898095199 162.500 > 3 27 Dy 0.64298985484044 0.91666666666667 0.87054898095199 162.500 > 3 28 Dy 0.14298985484044 0.25000000000000 0.29611768571468 162.500 > 4 29 Dy 0.14298985484044 0.58333333333333 0.29611768571468 162.500 > 4 30 Dy 0.14298985484044 0.91666666666667 0.29611768571468 162.500 > 4 31 Dy 0.14298985484044 0.25000000000000 0.62945101904801 162.500 > 4 32 Dy 0.14298985484044 0.58333333333333 0.62945101904801 162.500 > 4 33 Dy 0.14298985484044 0.91666666666667 0.62945101904801 162.500 > 4 34 Dy 0.14298985484044 0.25000000000000 0.96278435238135 162.500 > 4 35 Dy 0.14298985484044 0.58333333333333 0.96278435238135 162.500 > 4 36 Dy 0.14298985484044 0.91666666666667 0.96278435238135 162.500 > 4 *37 H 0.60496537214312 0.08333333333333 0.04686491662822 1.008 > 5 38 H 0.60496537214312 0.41666666666667 0.04686491662822 1.008 > 5 39 H 0.60496537214312 0.75000000000000 0.04686491662822 1.008 > 5 40 H 0.60496537214312 0.08333333333333 0.38019824996155 1.008 > 5 41 H 0.60496537214312 0.41666666666667 0.38019824996155 1.008 > 5 42 H 0.60496537214312 0.75000000000000 0.38019824996155 1.008 > 5 43 H 0.60496537214312 0.08333333333333 0.71353158329488 1.008 > 5 44 H 0.60496537214312 0.41666666666667 0.71353158329488 1.008 > 5 45 H 0.60496537214312 0.75000000000000 0.71353158329488 1.008 > 5 46 H 0.10496537214312 0.08333333333333 0.11980175003845 1.008 > 6 47 H 0.10496537214312 0.41666666666667 0.11980175003845 1.008 > 6 48 H 0.10496537214312 0.75000000000000 0.11980175003845 1.008 > 6 49 H 0.10496537214312 0.08333333333333 0.45313508337178 1.008 > 6 50 H 0.10496537214312 0.41666666666667 0.45313508337178 1.008 > 6 51 H 0.10496537214312 0.75000000000000 0.45313508337178 1.008 > 6 52 H 0.10496537214312 0.08333333333333 0.78646841670512 1.008 > 6 53 H 0.10496537214312 0.41666666666667 0.78646841670512 1.008 > 6 54 H 0.10496537214312 0.75000000000000 0.78646841670512 1.008 > 6 55 H 0.89503462785688 0.25000000000000 0.21353158329489 1.008 > 7 56 H 0.89503462785688 0.58333333333333 0.21353158329489 1.008 > 7 57 H 0.89503462785688 0.91666666666667 0.21353158329489 1.008 > 7 58 H 0.89503462785688 0.25000000000000 0.54686491662822 1.008 > 7 59 H 0.89503462785688 0.58333333333333 0.54686491662822 1.008 > 7 60 H 0.89503462785688 0.91666666666667 0.54686491662822 1.008 > 7 61 H 0.89503462785688 0.25000000000000 0.88019824996155 1.008 > 7 62 H 0.89503462785688 0.58333333333333 0.88019824996155 1.008 > 7 63 H 0.89503462785688 0.91666666666667 0.88019824996155 1.008 > 7 64 H 0.39503462785688 0.25000000000000 0.28646841670511 1.008 > 8 65 H 0.39503462785688 0.58333333333333 0.28646841670511 1.008 > 8 66 H 0.39503462785688 0.91666666666667 0.28646841670511 1.008 > 8 67 H 0.39503462785688 0.25000000000000 0.61980175003845 1.008 > 8 68 H 0.39503462785688 0.58333333333333 0.61980175003845 1.008 > 8 69 H 0.39503462785688 0.91666666666667 0.61980175003845 1.008 > 8 70 H 0.39503462785688 0.25000000000000 0.95313508337178 1.008 > 8 71 H 0.39503462785688 0.58333333333333 0.95313508337178 1.008 > 8 72 H 0.39503462785688 0.91666666666667 0.95313508337178 1.008 > 8 *73 O 0.07169107274045 0.08333333333333 0.05599408556043 15.999 > 9 74 O 0.07169107274045 0.41666666666667 0.05599408556043 15.999 > 9 75 O 0.07169107274045 0.75000000000000 0.05599408556043 15.999 > 9 76 O 0.07169107274045 0.08333333333333 0.38932741889376 15.999 > 9 77 O 0.07169107274045 0.41666666666667 0.38932741889376 15.999 > 9 78 O 0.07169107274045 0.75000000000000 0.38932741889376 15.999 > 9 79 O 0.07169107274045 0.08333333333333 0.72266075222710 15.999 > 9 80 O 0.07169107274045 0.41666666666667 0.72266075222710 15.999 > 9 81 O 0.07169107274045 0.75000000000000 0.72266075222710 15.999 > 9 *82 O 0.31433558440431 0.25000000000000 0.04515495537127 15.999 > 10 83 O 0.31433558440431 0.58333333333333 0.04515495537127 15.999 > 10 84 O 0.31433558440431 0.91666666666667 0.04515495537127 15.999 > 10 85 O 0.31433558440431 0.25000000000000 0.37848828870461 15.999 > 10 86 O 0.31433558440431 0.58333333333333 0.37848828870461 15.999 > 10 87 O 0.31433558440431 0.91666666666667 0.37848828870461 15.999 > 10 88 O 0.31433558440431 0.25000000000000 0.71182162203794 15.999 > 10 89 O 0.31433558440431 0.58333333333333 0.71182162203794 15.999 > 10 90 O 0.31433558440431 0.91666666666667 0.71182162203794 15.999 > 10 91 O 0.81433558440431 0.25000000000000 0.12151171129539 15.999 > 11 92 O 0.81433558440431 0.58333333333333 0.12151171129539 15.999 > 11 93 O 0.81433558440431 0.91666666666667 0.12151171129539 15.999 > 11 94 O 0.81433558440431 0.25000000000000 0.45484504462872 15.999 > 11 95 O 0.81433558440431 0.58333333333333 0.45484504462872 15.999 > 11 96 O 0.81433558440431 0.91666666666667 0.45484504462872 15.999 > 11 97 O 0.81433558440431 0.25000000000000 0.78817837796206 15.999 > 11 98 O 0.81433558440431 0.58333333333333 0.78817837796206 15.999 > 11 99 O 0.81433558440431 0.91666666666667 0.78817837796206 15.999 > 11 100 O 0.57169107274045 0.08333333333333 0.11067258110624 15.999 > 12 101 O 0.57169107274045 0.41666666666667 0.11067258110624 15.999 > 12 102 O 0.57169107274045 0.75000000000000 0.11067258110624 15.999 > 12 103 O 0.57169107274045 0.08333333333333 0.44400591443957 15.999 > 12 104 O 0.57169107274045 0.41666666666667 0.44400591443957 15.999 > 12 105 O 0.57169107274045 0.75000000000000 0.44400591443957 15.999 > 12 106 O 0.57169107274045 0.08333333333333 0.77733924777290 15.999 > 12 107 O 0.57169107274045 0.41666666666667 0.77733924777290 15.999 > 12 108 O 0.57169107274045 0.75000000000000 0.77733924777290 15.999 > 12 109 O 0.42830892725955 0.25000000000000 0.22266075222710 15.999 > 13 110 O 0.42830892725955 0.58333333333333 0.22266075222710 15.999 > 13 111 O 0.42830892725955 0.91666666666667 0.22266075222710 15.999 > 13 112 O 0.42830892725955 0.25000000000000 0.55599408556043 15.999 > 13 113 O 0.42830892725955 0.58333333333333 0.55599408556043 15.999 > 13 114 O 0.42830892725955 0.91666666666667 0.55599408556043 15.999 > 13 115 O 0.42830892725955 0.25000000000000 0.88932741889376 15.999 > 13 116 O 0.42830892725955 0.58333333333333 0.88932741889376 15.999 > 13 117 O 0.42830892725955 0.91666666666667 0.88932741889376 15.999 > 13 118 O 0.18566441559569 0.08333333333333 0.21182162203794 15.999 > 14 119 O 0.18566441559569 0.41666666666667 0.21182162203794 15.999 > 14 120 O 0.18566441559569 0.75000000000000 0.21182162203794 15.999 > 14 121 O 0.18566441559569 0.08333333333333 0.54515495537127 15.999 > 14 122 O 0.18566441559569 0.41666666666667 0.54515495537127 15.999 > 14 123 O 0.18566441559569 0.75000000000000 0.54515495537127 15.999 > 14 124 O 0.18566441559569 0.08333333333333 0.87848828870461 15.999 > 14 125 O 0.18566441559569 0.41666666666667 0.87848828870461 15.999 > 14 126 O 0.18566441559569 0.75000000000000 0.87848828870461 15.999 > 14 127 O 0.68566441559569 0.08333333333333 0.28817837796206 15.999 > 15 128 O 0.68566441559569 0.41666666666667 0.28817837796206 15.999 > 15 129 O 0.68566441559569 0.75000000000000 0.28817837796206 15.999 > 15 130 O 0.68566441559569 0.08333333333333 0.62151171129539 15.999 > 15 131 O 0.68566441559569 0.41666666666667 0.62151171129539 15.999 > 15 132 O 0.68566441559569 0.75000000000000 0.62151171129539 15.999 > 15 133 O 0.68566441559569 0.08333333333333 0.95484504462872 15.999 > 15 134 O 0.68566441559569 0.41666666666667 0.95484504462872 15.999 > 15 135 O 0.68566441559569 0.75000000000000 0.95484504462872 15.999 > 15 136 O 0.92830892725955 0.25000000000000 0.27733924777290 15.999 > 16 137 O 0.92830892725955 0.58333333333333 0.27733924777290 15.999 > 16 138 O 0.92830892725955 0.91666666666667 0.27733924777290 15.999 > 16 139 O 0.92830892725955 0.25000000000000 0.61067258110624 15.999 > 16 140 O 0.92830892725955 0.58333333333333 0.61067258110624 15.999 > 16 141 O 0.92830892725955 0.91666666666667 0.61067258110624 15.999 > 16 142 O 0.92830892725955 0.25000000000000 0.94400591443957 15.999 > 16 143 O 0.92830892725955 0.58333333333333 0.94400591443957 15.999 > 16 144 O 0.92830892725955 0.91666666666667 0.94400591443957 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5636432 0.0000000 0.0000000 0.0000000 3.7038614 0.0000000 0.0000000 0.0000000 3.5627015 -------------------------- Born effective charges -------------------------- 1 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 2 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 3 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 4 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 5 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 6 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 7 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 8 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 9 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 10 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 11 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 12 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 13 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 14 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 15 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 16 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 2.416 Solver_block: 200 / 240 - Time: 2.453 Solver_block: 240 / 240 - Time: 1.067 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.968 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:46:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:46:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.503232390000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002714770000001 Atomic positions (fractional): 1 Dy 0.85701014515956 0.25000000000000 0.11164694285596 162.500 2 Dy 0.35701014515956 0.25000000000000 0.38835305714404 162.500 3 Dy 0.64298985484044 0.75000000000000 0.61164694285596 162.500 4 Dy 0.14298985484044 0.75000000000000 0.88835305714404 162.500 5 H 0.60496537214312 0.25000000000000 0.14059474988465 1.008 6 H 0.10496537214312 0.25000000000000 0.35940525011535 1.008 7 H 0.89503462785688 0.75000000000000 0.64059474988466 1.008 8 H 0.39503462785688 0.75000000000000 0.85940525011534 1.008 9 O 0.07169107274045 0.25000000000000 0.16798225668129 15.999 10 O 0.31433558440431 0.75000000000000 0.13546486611382 15.999 11 O 0.81433558440431 0.75000000000000 0.36453513388617 15.999 12 O 0.57169107274045 0.25000000000000 0.33201774331871 15.999 13 O 0.42830892725955 0.75000000000000 0.66798225668129 15.999 14 O 0.18566441559569 0.25000000000000 0.63546486611383 15.999 15 O 0.68566441559569 0.25000000000000 0.86453513388617 15.999 16 O 0.92830892725955 0.75000000000000 0.83201774331871 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.509697170000003 0.000000000000000 c 0.000000000000000 0.000000000000000 15.008144310000002 Atomic positions (fractional): 1 Dy 0.85701014515956 0.08333333333333 0.03721564761865 162.500 > 1 2 Dy 0.85701014515956 0.41666666666667 0.03721564761865 162.500 > 1 3 Dy 0.85701014515956 0.75000000000000 0.03721564761865 162.500 > 1 4 Dy 0.85701014515956 0.08333333333333 0.37054898095199 162.500 > 1 5 Dy 0.85701014515956 0.41666666666667 0.37054898095199 162.500 > 1 6 Dy 0.85701014515956 0.75000000000000 0.37054898095199 162.500 > 1 7 Dy 0.85701014515956 0.08333333333333 0.70388231428532 162.500 > 1 8 Dy 0.85701014515956 0.41666666666667 0.70388231428532 162.500 > 1 9 Dy 0.85701014515956 0.75000000000000 0.70388231428532 162.500 > 1 10 Dy 0.35701014515956 0.08333333333333 0.12945101904801 162.500 > 10 11 Dy 0.35701014515956 0.41666666666667 0.12945101904801 162.500 > 10 12 Dy 0.35701014515956 0.75000000000000 0.12945101904801 162.500 > 10 13 Dy 0.35701014515956 0.08333333333333 0.46278435238135 162.500 > 10 14 Dy 0.35701014515956 0.41666666666667 0.46278435238135 162.500 > 10 15 Dy 0.35701014515956 0.75000000000000 0.46278435238135 162.500 > 10 16 Dy 0.35701014515956 0.08333333333333 0.79611768571468 162.500 > 10 17 Dy 0.35701014515956 0.41666666666667 0.79611768571468 162.500 > 10 18 Dy 0.35701014515956 0.75000000000000 0.79611768571468 162.500 > 10 19 Dy 0.64298985484044 0.25000000000000 0.20388231428532 162.500 > 19 20 Dy 0.64298985484044 0.58333333333333 0.20388231428532 162.500 > 19 21 Dy 0.64298985484044 0.91666666666667 0.20388231428532 162.500 > 19 22 Dy 0.64298985484044 0.25000000000000 0.53721564761865 162.500 > 19 23 Dy 0.64298985484044 0.58333333333333 0.53721564761865 162.500 > 19 24 Dy 0.64298985484044 0.91666666666667 0.53721564761865 162.500 > 19 25 Dy 0.64298985484044 0.25000000000000 0.87054898095199 162.500 > 19 26 Dy 0.64298985484044 0.58333333333333 0.87054898095199 162.500 > 19 27 Dy 0.64298985484044 0.91666666666667 0.87054898095199 162.500 > 19 28 Dy 0.14298985484044 0.25000000000000 0.29611768571468 162.500 > 28 29 Dy 0.14298985484044 0.58333333333333 0.29611768571468 162.500 > 28 30 Dy 0.14298985484044 0.91666666666667 0.29611768571468 162.500 > 28 31 Dy 0.14298985484044 0.25000000000000 0.62945101904801 162.500 > 28 32 Dy 0.14298985484044 0.58333333333333 0.62945101904801 162.500 > 28 33 Dy 0.14298985484044 0.91666666666667 0.62945101904801 162.500 > 28 34 Dy 0.14298985484044 0.25000000000000 0.96278435238135 162.500 > 28 35 Dy 0.14298985484044 0.58333333333333 0.96278435238135 162.500 > 28 36 Dy 0.14298985484044 0.91666666666667 0.96278435238135 162.500 > 28 37 H 0.60496537214312 0.08333333333333 0.04686491662822 1.008 > 37 38 H 0.60496537214312 0.41666666666667 0.04686491662822 1.008 > 37 39 H 0.60496537214312 0.75000000000000 0.04686491662822 1.008 > 37 40 H 0.60496537214312 0.08333333333333 0.38019824996155 1.008 > 37 41 H 0.60496537214312 0.41666666666667 0.38019824996155 1.008 > 37 42 H 0.60496537214312 0.75000000000000 0.38019824996155 1.008 > 37 43 H 0.60496537214312 0.08333333333333 0.71353158329488 1.008 > 37 44 H 0.60496537214312 0.41666666666667 0.71353158329488 1.008 > 37 45 H 0.60496537214312 0.75000000000000 0.71353158329488 1.008 > 37 46 H 0.10496537214312 0.08333333333333 0.11980175003845 1.008 > 46 47 H 0.10496537214312 0.41666666666667 0.11980175003845 1.008 > 46 48 H 0.10496537214312 0.75000000000000 0.11980175003845 1.008 > 46 49 H 0.10496537214312 0.08333333333333 0.45313508337178 1.008 > 46 50 H 0.10496537214312 0.41666666666667 0.45313508337178 1.008 > 46 51 H 0.10496537214312 0.75000000000000 0.45313508337178 1.008 > 46 52 H 0.10496537214312 0.08333333333333 0.78646841670512 1.008 > 46 53 H 0.10496537214312 0.41666666666667 0.78646841670512 1.008 > 46 54 H 0.10496537214312 0.75000000000000 0.78646841670512 1.008 > 46 55 H 0.89503462785688 0.25000000000000 0.21353158329489 1.008 > 55 56 H 0.89503462785688 0.58333333333333 0.21353158329489 1.008 > 55 57 H 0.89503462785688 0.91666666666667 0.21353158329489 1.008 > 55 58 H 0.89503462785688 0.25000000000000 0.54686491662822 1.008 > 55 59 H 0.89503462785688 0.58333333333333 0.54686491662822 1.008 > 55 60 H 0.89503462785688 0.91666666666667 0.54686491662822 1.008 > 55 61 H 0.89503462785688 0.25000000000000 0.88019824996155 1.008 > 55 62 H 0.89503462785688 0.58333333333333 0.88019824996155 1.008 > 55 63 H 0.89503462785688 0.91666666666667 0.88019824996155 1.008 > 55 64 H 0.39503462785688 0.25000000000000 0.28646841670511 1.008 > 64 65 H 0.39503462785688 0.58333333333333 0.28646841670511 1.008 > 64 66 H 0.39503462785688 0.91666666666667 0.28646841670511 1.008 > 64 67 H 0.39503462785688 0.25000000000000 0.61980175003845 1.008 > 64 68 H 0.39503462785688 0.58333333333333 0.61980175003845 1.008 > 64 69 H 0.39503462785688 0.91666666666667 0.61980175003845 1.008 > 64 70 H 0.39503462785688 0.25000000000000 0.95313508337178 1.008 > 64 71 H 0.39503462785688 0.58333333333333 0.95313508337178 1.008 > 64 72 H 0.39503462785688 0.91666666666667 0.95313508337178 1.008 > 64 73 O 0.07169107274045 0.08333333333333 0.05599408556043 15.999 > 73 74 O 0.07169107274045 0.41666666666667 0.05599408556043 15.999 > 73 75 O 0.07169107274045 0.75000000000000 0.05599408556043 15.999 > 73 76 O 0.07169107274045 0.08333333333333 0.38932741889376 15.999 > 73 77 O 0.07169107274045 0.41666666666667 0.38932741889376 15.999 > 73 78 O 0.07169107274045 0.75000000000000 0.38932741889376 15.999 > 73 79 O 0.07169107274045 0.08333333333333 0.72266075222710 15.999 > 73 80 O 0.07169107274045 0.41666666666667 0.72266075222710 15.999 > 73 81 O 0.07169107274045 0.75000000000000 0.72266075222710 15.999 > 73 82 O 0.31433558440431 0.25000000000000 0.04515495537127 15.999 > 82 83 O 0.31433558440431 0.58333333333333 0.04515495537127 15.999 > 82 84 O 0.31433558440431 0.91666666666667 0.04515495537127 15.999 > 82 85 O 0.31433558440431 0.25000000000000 0.37848828870461 15.999 > 82 86 O 0.31433558440431 0.58333333333333 0.37848828870461 15.999 > 82 87 O 0.31433558440431 0.91666666666667 0.37848828870461 15.999 > 82 88 O 0.31433558440431 0.25000000000000 0.71182162203794 15.999 > 82 89 O 0.31433558440431 0.58333333333333 0.71182162203794 15.999 > 82 90 O 0.31433558440431 0.91666666666667 0.71182162203794 15.999 > 82 91 O 0.81433558440431 0.25000000000000 0.12151171129539 15.999 > 91 92 O 0.81433558440431 0.58333333333333 0.12151171129539 15.999 > 91 93 O 0.81433558440431 0.91666666666667 0.12151171129539 15.999 > 91 94 O 0.81433558440431 0.25000000000000 0.45484504462872 15.999 > 91 95 O 0.81433558440431 0.58333333333333 0.45484504462872 15.999 > 91 96 O 0.81433558440431 0.91666666666667 0.45484504462872 15.999 > 91 97 O 0.81433558440431 0.25000000000000 0.78817837796206 15.999 > 91 98 O 0.81433558440431 0.58333333333333 0.78817837796206 15.999 > 91 99 O 0.81433558440431 0.91666666666667 0.78817837796206 15.999 > 91 100 O 0.57169107274045 0.08333333333333 0.11067258110624 15.999 > 100 101 O 0.57169107274045 0.41666666666667 0.11067258110624 15.999 > 100 102 O 0.57169107274045 0.75000000000000 0.11067258110624 15.999 > 100 103 O 0.57169107274045 0.08333333333333 0.44400591443957 15.999 > 100 104 O 0.57169107274045 0.41666666666667 0.44400591443957 15.999 > 100 105 O 0.57169107274045 0.75000000000000 0.44400591443957 15.999 > 100 106 O 0.57169107274045 0.08333333333333 0.77733924777290 15.999 > 100 107 O 0.57169107274045 0.41666666666667 0.77733924777290 15.999 > 100 108 O 0.57169107274045 0.75000000000000 0.77733924777290 15.999 > 100 109 O 0.42830892725955 0.25000000000000 0.22266075222710 15.999 > 109 110 O 0.42830892725955 0.58333333333333 0.22266075222710 15.999 > 109 111 O 0.42830892725955 0.91666666666667 0.22266075222710 15.999 > 109 112 O 0.42830892725955 0.25000000000000 0.55599408556043 15.999 > 109 113 O 0.42830892725955 0.58333333333333 0.55599408556043 15.999 > 109 114 O 0.42830892725955 0.91666666666667 0.55599408556043 15.999 > 109 115 O 0.42830892725955 0.25000000000000 0.88932741889376 15.999 > 109 116 O 0.42830892725955 0.58333333333333 0.88932741889376 15.999 > 109 117 O 0.42830892725955 0.91666666666667 0.88932741889376 15.999 > 109 118 O 0.18566441559569 0.08333333333333 0.21182162203794 15.999 > 118 119 O 0.18566441559569 0.41666666666667 0.21182162203794 15.999 > 118 120 O 0.18566441559569 0.75000000000000 0.21182162203794 15.999 > 118 121 O 0.18566441559569 0.08333333333333 0.54515495537127 15.999 > 118 122 O 0.18566441559569 0.41666666666667 0.54515495537127 15.999 > 118 123 O 0.18566441559569 0.75000000000000 0.54515495537127 15.999 > 118 124 O 0.18566441559569 0.08333333333333 0.87848828870461 15.999 > 118 125 O 0.18566441559569 0.41666666666667 0.87848828870461 15.999 > 118 126 O 0.18566441559569 0.75000000000000 0.87848828870461 15.999 > 118 127 O 0.68566441559569 0.08333333333333 0.28817837796206 15.999 > 127 128 O 0.68566441559569 0.41666666666667 0.28817837796206 15.999 > 127 129 O 0.68566441559569 0.75000000000000 0.28817837796206 15.999 > 127 130 O 0.68566441559569 0.08333333333333 0.62151171129539 15.999 > 127 131 O 0.68566441559569 0.41666666666667 0.62151171129539 15.999 > 127 132 O 0.68566441559569 0.75000000000000 0.62151171129539 15.999 > 127 133 O 0.68566441559569 0.08333333333333 0.95484504462872 15.999 > 127 134 O 0.68566441559569 0.41666666666667 0.95484504462872 15.999 > 127 135 O 0.68566441559569 0.75000000000000 0.95484504462872 15.999 > 127 136 O 0.92830892725955 0.25000000000000 0.27733924777290 15.999 > 136 137 O 0.92830892725955 0.58333333333333 0.27733924777290 15.999 > 136 138 O 0.92830892725955 0.91666666666667 0.27733924777290 15.999 > 136 139 O 0.92830892725955 0.25000000000000 0.61067258110624 15.999 > 136 140 O 0.92830892725955 0.58333333333333 0.61067258110624 15.999 > 136 141 O 0.92830892725955 0.91666666666667 0.61067258110624 15.999 > 136 142 O 0.92830892725955 0.25000000000000 0.94400591443957 15.999 > 136 143 O 0.92830892725955 0.58333333333333 0.94400591443957 15.999 > 136 144 O 0.92830892725955 0.91666666666667 0.94400591443957 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5636432 0.0000000 0.0000000 0.0000000 3.7038614 0.0000000 0.0000000 0.0000000 3.5627015 -------------------------- Born effective charges -------------------------- 1 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 2 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 3 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 4 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 5 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 6 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 7 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 8 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 9 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 10 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 11 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 12 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 13 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 14 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 15 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 16 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:46:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:47:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.503232390000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.002714770000001 Atomic positions (fractional): 1 Dy 0.85701014515956 0.25000000000000 0.11164694285596 162.500 2 Dy 0.35701014515956 0.25000000000000 0.38835305714404 162.500 3 Dy 0.64298985484044 0.75000000000000 0.61164694285596 162.500 4 Dy 0.14298985484044 0.75000000000000 0.88835305714404 162.500 5 H 0.60496537214312 0.25000000000000 0.14059474988465 1.008 6 H 0.10496537214312 0.25000000000000 0.35940525011535 1.008 7 H 0.89503462785688 0.75000000000000 0.64059474988466 1.008 8 H 0.39503462785688 0.75000000000000 0.85940525011534 1.008 9 O 0.07169107274045 0.25000000000000 0.16798225668129 15.999 10 O 0.31433558440431 0.75000000000000 0.13546486611382 15.999 11 O 0.81433558440431 0.75000000000000 0.36453513388617 15.999 12 O 0.57169107274045 0.25000000000000 0.33201774331871 15.999 13 O 0.42830892725955 0.75000000000000 0.66798225668129 15.999 14 O 0.18566441559569 0.25000000000000 0.63546486611383 15.999 15 O 0.68566441559569 0.25000000000000 0.86453513388617 15.999 16 O 0.92830892725955 0.75000000000000 0.83201774331871 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.675485189999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.509697170000003 0.000000000000000 c 0.000000000000000 0.000000000000000 15.008144310000002 Atomic positions (fractional): 1 Dy 0.85701014515956 0.08333333333333 0.03721564761865 162.500 > 1 2 Dy 0.85701014515956 0.41666666666667 0.03721564761865 162.500 > 1 3 Dy 0.85701014515956 0.75000000000000 0.03721564761865 162.500 > 1 4 Dy 0.85701014515956 0.08333333333333 0.37054898095199 162.500 > 1 5 Dy 0.85701014515956 0.41666666666667 0.37054898095199 162.500 > 1 6 Dy 0.85701014515956 0.75000000000000 0.37054898095199 162.500 > 1 7 Dy 0.85701014515956 0.08333333333333 0.70388231428532 162.500 > 1 8 Dy 0.85701014515956 0.41666666666667 0.70388231428532 162.500 > 1 9 Dy 0.85701014515956 0.75000000000000 0.70388231428532 162.500 > 1 10 Dy 0.35701014515956 0.08333333333333 0.12945101904801 162.500 > 10 11 Dy 0.35701014515956 0.41666666666667 0.12945101904801 162.500 > 10 12 Dy 0.35701014515956 0.75000000000000 0.12945101904801 162.500 > 10 13 Dy 0.35701014515956 0.08333333333333 0.46278435238135 162.500 > 10 14 Dy 0.35701014515956 0.41666666666667 0.46278435238135 162.500 > 10 15 Dy 0.35701014515956 0.75000000000000 0.46278435238135 162.500 > 10 16 Dy 0.35701014515956 0.08333333333333 0.79611768571468 162.500 > 10 17 Dy 0.35701014515956 0.41666666666667 0.79611768571468 162.500 > 10 18 Dy 0.35701014515956 0.75000000000000 0.79611768571468 162.500 > 10 19 Dy 0.64298985484044 0.25000000000000 0.20388231428532 162.500 > 19 20 Dy 0.64298985484044 0.58333333333333 0.20388231428532 162.500 > 19 21 Dy 0.64298985484044 0.91666666666667 0.20388231428532 162.500 > 19 22 Dy 0.64298985484044 0.25000000000000 0.53721564761865 162.500 > 19 23 Dy 0.64298985484044 0.58333333333333 0.53721564761865 162.500 > 19 24 Dy 0.64298985484044 0.91666666666667 0.53721564761865 162.500 > 19 25 Dy 0.64298985484044 0.25000000000000 0.87054898095199 162.500 > 19 26 Dy 0.64298985484044 0.58333333333333 0.87054898095199 162.500 > 19 27 Dy 0.64298985484044 0.91666666666667 0.87054898095199 162.500 > 19 28 Dy 0.14298985484044 0.25000000000000 0.29611768571468 162.500 > 28 29 Dy 0.14298985484044 0.58333333333333 0.29611768571468 162.500 > 28 30 Dy 0.14298985484044 0.91666666666667 0.29611768571468 162.500 > 28 31 Dy 0.14298985484044 0.25000000000000 0.62945101904801 162.500 > 28 32 Dy 0.14298985484044 0.58333333333333 0.62945101904801 162.500 > 28 33 Dy 0.14298985484044 0.91666666666667 0.62945101904801 162.500 > 28 34 Dy 0.14298985484044 0.25000000000000 0.96278435238135 162.500 > 28 35 Dy 0.14298985484044 0.58333333333333 0.96278435238135 162.500 > 28 36 Dy 0.14298985484044 0.91666666666667 0.96278435238135 162.500 > 28 37 H 0.60496537214312 0.08333333333333 0.04686491662822 1.008 > 37 38 H 0.60496537214312 0.41666666666667 0.04686491662822 1.008 > 37 39 H 0.60496537214312 0.75000000000000 0.04686491662822 1.008 > 37 40 H 0.60496537214312 0.08333333333333 0.38019824996155 1.008 > 37 41 H 0.60496537214312 0.41666666666667 0.38019824996155 1.008 > 37 42 H 0.60496537214312 0.75000000000000 0.38019824996155 1.008 > 37 43 H 0.60496537214312 0.08333333333333 0.71353158329488 1.008 > 37 44 H 0.60496537214312 0.41666666666667 0.71353158329488 1.008 > 37 45 H 0.60496537214312 0.75000000000000 0.71353158329488 1.008 > 37 46 H 0.10496537214312 0.08333333333333 0.11980175003845 1.008 > 46 47 H 0.10496537214312 0.41666666666667 0.11980175003845 1.008 > 46 48 H 0.10496537214312 0.75000000000000 0.11980175003845 1.008 > 46 49 H 0.10496537214312 0.08333333333333 0.45313508337178 1.008 > 46 50 H 0.10496537214312 0.41666666666667 0.45313508337178 1.008 > 46 51 H 0.10496537214312 0.75000000000000 0.45313508337178 1.008 > 46 52 H 0.10496537214312 0.08333333333333 0.78646841670512 1.008 > 46 53 H 0.10496537214312 0.41666666666667 0.78646841670512 1.008 > 46 54 H 0.10496537214312 0.75000000000000 0.78646841670512 1.008 > 46 55 H 0.89503462785688 0.25000000000000 0.21353158329489 1.008 > 55 56 H 0.89503462785688 0.58333333333333 0.21353158329489 1.008 > 55 57 H 0.89503462785688 0.91666666666667 0.21353158329489 1.008 > 55 58 H 0.89503462785688 0.25000000000000 0.54686491662822 1.008 > 55 59 H 0.89503462785688 0.58333333333333 0.54686491662822 1.008 > 55 60 H 0.89503462785688 0.91666666666667 0.54686491662822 1.008 > 55 61 H 0.89503462785688 0.25000000000000 0.88019824996155 1.008 > 55 62 H 0.89503462785688 0.58333333333333 0.88019824996155 1.008 > 55 63 H 0.89503462785688 0.91666666666667 0.88019824996155 1.008 > 55 64 H 0.39503462785688 0.25000000000000 0.28646841670511 1.008 > 64 65 H 0.39503462785688 0.58333333333333 0.28646841670511 1.008 > 64 66 H 0.39503462785688 0.91666666666667 0.28646841670511 1.008 > 64 67 H 0.39503462785688 0.25000000000000 0.61980175003845 1.008 > 64 68 H 0.39503462785688 0.58333333333333 0.61980175003845 1.008 > 64 69 H 0.39503462785688 0.91666666666667 0.61980175003845 1.008 > 64 70 H 0.39503462785688 0.25000000000000 0.95313508337178 1.008 > 64 71 H 0.39503462785688 0.58333333333333 0.95313508337178 1.008 > 64 72 H 0.39503462785688 0.91666666666667 0.95313508337178 1.008 > 64 73 O 0.07169107274045 0.08333333333333 0.05599408556043 15.999 > 73 74 O 0.07169107274045 0.41666666666667 0.05599408556043 15.999 > 73 75 O 0.07169107274045 0.75000000000000 0.05599408556043 15.999 > 73 76 O 0.07169107274045 0.08333333333333 0.38932741889376 15.999 > 73 77 O 0.07169107274045 0.41666666666667 0.38932741889376 15.999 > 73 78 O 0.07169107274045 0.75000000000000 0.38932741889376 15.999 > 73 79 O 0.07169107274045 0.08333333333333 0.72266075222710 15.999 > 73 80 O 0.07169107274045 0.41666666666667 0.72266075222710 15.999 > 73 81 O 0.07169107274045 0.75000000000000 0.72266075222710 15.999 > 73 82 O 0.31433558440431 0.25000000000000 0.04515495537127 15.999 > 82 83 O 0.31433558440431 0.58333333333333 0.04515495537127 15.999 > 82 84 O 0.31433558440431 0.91666666666667 0.04515495537127 15.999 > 82 85 O 0.31433558440431 0.25000000000000 0.37848828870461 15.999 > 82 86 O 0.31433558440431 0.58333333333333 0.37848828870461 15.999 > 82 87 O 0.31433558440431 0.91666666666667 0.37848828870461 15.999 > 82 88 O 0.31433558440431 0.25000000000000 0.71182162203794 15.999 > 82 89 O 0.31433558440431 0.58333333333333 0.71182162203794 15.999 > 82 90 O 0.31433558440431 0.91666666666667 0.71182162203794 15.999 > 82 91 O 0.81433558440431 0.25000000000000 0.12151171129539 15.999 > 91 92 O 0.81433558440431 0.58333333333333 0.12151171129539 15.999 > 91 93 O 0.81433558440431 0.91666666666667 0.12151171129539 15.999 > 91 94 O 0.81433558440431 0.25000000000000 0.45484504462872 15.999 > 91 95 O 0.81433558440431 0.58333333333333 0.45484504462872 15.999 > 91 96 O 0.81433558440431 0.91666666666667 0.45484504462872 15.999 > 91 97 O 0.81433558440431 0.25000000000000 0.78817837796206 15.999 > 91 98 O 0.81433558440431 0.58333333333333 0.78817837796206 15.999 > 91 99 O 0.81433558440431 0.91666666666667 0.78817837796206 15.999 > 91 100 O 0.57169107274045 0.08333333333333 0.11067258110624 15.999 > 100 101 O 0.57169107274045 0.41666666666667 0.11067258110624 15.999 > 100 102 O 0.57169107274045 0.75000000000000 0.11067258110624 15.999 > 100 103 O 0.57169107274045 0.08333333333333 0.44400591443957 15.999 > 100 104 O 0.57169107274045 0.41666666666667 0.44400591443957 15.999 > 100 105 O 0.57169107274045 0.75000000000000 0.44400591443957 15.999 > 100 106 O 0.57169107274045 0.08333333333333 0.77733924777290 15.999 > 100 107 O 0.57169107274045 0.41666666666667 0.77733924777290 15.999 > 100 108 O 0.57169107274045 0.75000000000000 0.77733924777290 15.999 > 100 109 O 0.42830892725955 0.25000000000000 0.22266075222710 15.999 > 109 110 O 0.42830892725955 0.58333333333333 0.22266075222710 15.999 > 109 111 O 0.42830892725955 0.91666666666667 0.22266075222710 15.999 > 109 112 O 0.42830892725955 0.25000000000000 0.55599408556043 15.999 > 109 113 O 0.42830892725955 0.58333333333333 0.55599408556043 15.999 > 109 114 O 0.42830892725955 0.91666666666667 0.55599408556043 15.999 > 109 115 O 0.42830892725955 0.25000000000000 0.88932741889376 15.999 > 109 116 O 0.42830892725955 0.58333333333333 0.88932741889376 15.999 > 109 117 O 0.42830892725955 0.91666666666667 0.88932741889376 15.999 > 109 118 O 0.18566441559569 0.08333333333333 0.21182162203794 15.999 > 118 119 O 0.18566441559569 0.41666666666667 0.21182162203794 15.999 > 118 120 O 0.18566441559569 0.75000000000000 0.21182162203794 15.999 > 118 121 O 0.18566441559569 0.08333333333333 0.54515495537127 15.999 > 118 122 O 0.18566441559569 0.41666666666667 0.54515495537127 15.999 > 118 123 O 0.18566441559569 0.75000000000000 0.54515495537127 15.999 > 118 124 O 0.18566441559569 0.08333333333333 0.87848828870461 15.999 > 118 125 O 0.18566441559569 0.41666666666667 0.87848828870461 15.999 > 118 126 O 0.18566441559569 0.75000000000000 0.87848828870461 15.999 > 118 127 O 0.68566441559569 0.08333333333333 0.28817837796206 15.999 > 127 128 O 0.68566441559569 0.41666666666667 0.28817837796206 15.999 > 127 129 O 0.68566441559569 0.75000000000000 0.28817837796206 15.999 > 127 130 O 0.68566441559569 0.08333333333333 0.62151171129539 15.999 > 127 131 O 0.68566441559569 0.41666666666667 0.62151171129539 15.999 > 127 132 O 0.68566441559569 0.75000000000000 0.62151171129539 15.999 > 127 133 O 0.68566441559569 0.08333333333333 0.95484504462872 15.999 > 127 134 O 0.68566441559569 0.41666666666667 0.95484504462872 15.999 > 127 135 O 0.68566441559569 0.75000000000000 0.95484504462872 15.999 > 127 136 O 0.92830892725955 0.25000000000000 0.27733924777290 15.999 > 136 137 O 0.92830892725955 0.58333333333333 0.27733924777290 15.999 > 136 138 O 0.92830892725955 0.91666666666667 0.27733924777290 15.999 > 136 139 O 0.92830892725955 0.25000000000000 0.61067258110624 15.999 > 136 140 O 0.92830892725955 0.58333333333333 0.61067258110624 15.999 > 136 141 O 0.92830892725955 0.91666666666667 0.61067258110624 15.999 > 136 142 O 0.92830892725955 0.25000000000000 0.94400591443957 15.999 > 136 143 O 0.92830892725955 0.58333333333333 0.94400591443957 15.999 > 136 144 O 0.92830892725955 0.91666666666667 0.94400591443957 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5636432 0.0000000 0.0000000 0.0000000 3.7038614 0.0000000 0.0000000 0.0000000 3.5627015 -------------------------- Born effective charges -------------------------- 1 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 2 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 3 Dy 3.6881174 0.0000000 0.0836517 0.0000000 4.1375521 0.0000000 -0.0182982 0.0000000 3.2750414 4 Dy 3.6881174 0.0000000 -0.0836517 0.0000000 4.1375521 0.0000000 0.0182982 0.0000000 3.2750414 5 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 6 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 7 H 0.5654491 0.0000000 0.6278686 0.0000000 0.2293664 0.0000000 0.6272394 0.0000000 1.4371283 8 H 0.5654491 0.0000000 -0.6278686 0.0000000 0.2293664 0.0000000 -0.6272394 0.0000000 1.4371283 9 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 10 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 11 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 12 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 13 O -2.2277581 0.0000000 0.2084927 0.0000000 -1.8099387 0.0000000 0.2306806 0.0000000 -2.0960979 14 O -2.0258084 0.0000000 0.4708512 0.0000000 -2.5569797 0.0000000 0.4889772 0.0000000 -2.6160719 15 O -2.0258084 0.0000000 -0.4708512 0.0000000 -2.5569797 0.0000000 -0.4889772 0.0000000 -2.6160719 16 O -2.2277581 0.0000000 -0.2084927 0.0000000 -1.8099387 0.0000000 -0.2306806 0.0000000 -2.0960979 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 317, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 13.457 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 17.147 ( 0.000 0.000 0.000) 0.000 17.175 ( 0.000 0.000 0.000) 0.000 27.876 ( 0.000 0.000 0.000) 0.000 27.985 ( 0.000 0.000 0.000) 0.000 28.682 ( 0.000 0.000 0.000) 0.000 28.756 ( 0.000 0.000 0.000) 0.000 31.419 ( 0.000 0.000 0.000) 0.000 31.903 ( 0.000 0.000 0.000) 0.000 32.674 ( 0.000 0.000 0.000) 0.000 32.805 ( 0.000 0.000 0.000) 0.000 83.534 ( 0.000 0.000 0.000) 0.000 83.653 ( 0.000 0.000 0.000) 0.000 84.079 ( 0.000 0.000 0.000) 0.000 84.087 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 23.728 0.000 0.000) 23.728 0.530 ( 27.750 0.000 0.000) 27.750 0.779 ( 39.915 0.000 0.000) 39.915 1.656 ( -9.664 0.000 0.000) 9.664 1.833 ( -15.962 0.000 0.000) 15.962 2.549 ( 8.604 0.000 0.000) 8.604 2.891 ( -2.486 0.000 0.000) 2.486 3.091 ( -34.275 0.000 0.000) 34.275 3.472 ( 8.287 0.000 0.000) 8.287 3.951 ( -0.263 0.000 0.000) 0.263 4.221 ( 15.618 0.000 0.000) 15.618 4.764 ( -2.639 0.000 0.000) 2.639 6.922 ( 5.775 0.000 0.000) 5.775 7.143 ( 2.991 0.000 0.000) 2.991 7.430 ( -6.871 0.000 0.000) 6.871 7.448 ( -4.916 0.000 0.000) 4.916 8.202 ( 3.694 0.000 0.000) 3.694 8.408 ( -1.822 0.000 0.000) 1.822 8.485 ( 4.065 0.000 0.000) 4.065 8.744 ( -2.461 0.000 0.000) 2.461 10.531 ( 0.023 0.000 0.000) 0.023 10.593 ( -1.072 0.000 0.000) 1.072 10.895 ( 8.785 0.000 0.000) 8.785 11.705 ( 0.519 0.000 0.000) 0.519 11.762 ( -1.036 0.000 0.000) 1.036 11.779 ( -16.692 0.000 0.000) 16.692 11.938 ( 1.649 0.000 0.000) 1.649 12.045 ( -1.120 0.000 0.000) 1.120 12.900 ( 12.858 0.000 0.000) 12.858 13.426 ( -3.431 0.000 0.000) 3.431 14.134 ( -0.118 0.000 0.000) 0.118 14.135 ( -0.137 0.000 0.000) 0.137 14.419 ( 0.265 0.000 0.000) 0.265 14.488 ( -1.451 0.000 0.000) 1.451 17.190 ( 4.360 0.000 0.000) 4.360 17.518 ( -3.685 0.000 0.000) 3.685 27.886 ( 0.996 0.000 0.000) 0.996 27.974 ( -1.162 0.000 0.000) 1.162 28.690 ( 0.820 0.000 0.000) 0.820 28.749 ( -0.654 0.000 0.000) 0.654 31.932 ( 3.069 0.000 0.000) 3.069 32.226 ( -4.520 0.000 0.000) 4.520 32.698 ( 2.173 0.000 0.000) 2.173 32.799 ( -0.716 0.000 0.000) 0.716 83.560 ( 2.766 0.000 0.000) 2.766 83.910 ( -8.855 0.000 0.000) 8.855 84.261 ( 9.315 0.000 0.000) 9.315 84.649 ( -3.234 0.000 0.000) 3.234 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 21.636 0.000 0.000) 21.636 1.030 ( 25.422 0.000 0.000) 25.422 1.211 ( -8.102 0.000 0.000) 8.102 1.474 ( -21.743 0.000 0.000) 21.743 1.711 ( 30.437 0.000 0.000) 30.437 2.405 ( -38.250 0.000 0.000) 38.250 2.704 ( 7.434 0.000 0.000) 7.434 2.821 ( -5.005 0.000 0.000) 5.005 3.660 ( 10.774 0.000 0.000) 10.774 3.847 ( -8.598 0.000 0.000) 8.598 4.502 ( 12.492 0.000 0.000) 12.492 4.679 ( -6.706 0.000 0.000) 6.706 7.071 ( 9.667 0.000 0.000) 9.667 7.223 ( 5.385 0.000 0.000) 5.385 7.264 ( -10.255 0.000 0.000) 10.255 7.337 ( -6.420 0.000 0.000) 6.420 8.282 ( 4.469 0.000 0.000) 4.469 8.358 ( -3.468 0.000 0.000) 3.468 8.579 ( 5.536 0.000 0.000) 5.536 8.677 ( -4.613 0.000 0.000) 4.613 10.542 ( 1.090 0.000 0.000) 1.090 10.568 ( -1.543 0.000 0.000) 1.543 11.120 ( 14.897 0.000 0.000) 14.897 11.437 ( -18.413 0.000 0.000) 18.413 11.719 ( 0.960 0.000 0.000) 0.960 11.740 ( -1.218 0.000 0.000) 1.218 11.976 ( 2.204 0.000 0.000) 2.204 12.016 ( -1.939 0.000 0.000) 1.939 13.141 ( 11.813 0.000 0.000) 11.813 13.324 ( -7.554 0.000 0.000) 7.554 14.133 ( -0.052 0.000 0.000) 0.052 14.133 ( -0.073 0.000 0.000) 0.073 14.430 ( 0.955 0.000 0.000) 0.955 14.456 ( -1.723 0.000 0.000) 1.723 17.297 ( 6.662 0.000 0.000) 6.662 17.422 ( -6.251 0.000 0.000) 6.251 27.912 ( 1.680 0.000 0.000) 1.680 27.945 ( -1.780 0.000 0.000) 1.780 28.710 ( 1.227 0.000 0.000) 1.227 28.732 ( -1.126 0.000 0.000) 1.126 32.013 ( 5.329 0.000 0.000) 5.329 32.122 ( -6.073 0.000 0.000) 6.073 32.742 ( 2.272 0.000 0.000) 2.272 32.778 ( -1.525 0.000 0.000) 1.525 83.636 ( 5.302 0.000 0.000) 5.302 83.756 ( -7.394 0.000 0.000) 7.394 84.426 ( 8.143 0.000 0.000) 8.143 84.561 ( -6.055 0.000 0.000) 6.055 ======================= Grid point 5 (4/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 24.659 0.000) 24.659 0.578 ( 0.000 28.044 0.000) 28.044 1.129 ( 0.000 54.603 0.000) 54.603 1.828 ( 0.000 6.448 0.000) 6.448 2.123 ( 0.000 9.562 0.000) 9.562 2.590 ( 0.000 12.862 0.000) 12.862 3.088 ( 0.000 13.216 0.000) 13.216 3.363 ( 0.000 7.436 0.000) 7.436 3.721 ( 0.000 9.677 0.000) 9.677 3.792 ( 0.000 7.855 0.000) 7.855 4.063 ( 0.000 -3.268 0.000) 3.268 4.762 ( 0.000 -2.474 0.000) 2.474 6.911 ( 0.000 4.435 0.000) 4.435 7.326 ( 0.000 -12.381 0.000) 12.381 7.455 ( 0.000 -3.753 0.000) 3.753 7.893 ( 0.000 -1.757 0.000) 1.757 8.414 ( 0.000 19.736 0.000) 19.736 8.503 ( 0.000 6.978 0.000) 6.978 8.506 ( 0.000 5.686 0.000) 5.686 9.460 ( 0.000 2.058 0.000) 2.058 9.615 ( 0.000 -9.354 0.000) 9.354 10.536 ( 0.000 -0.013 0.000) 0.013 10.638 ( 0.000 2.686 0.000) 2.686 10.829 ( 0.000 2.059 0.000) 2.059 11.546 ( 0.000 -29.483 0.000) 29.483 11.773 ( 0.000 6.922 0.000) 6.922 11.854 ( 0.000 7.788 0.000) 7.788 11.964 ( 0.000 -0.299 0.000) 0.299 12.752 ( 0.000 -2.491 0.000) 2.491 13.817 ( 0.000 27.367 0.000) 27.367 14.052 ( 0.000 -8.043 0.000) 8.043 14.388 ( 0.000 -2.796 0.000) 2.796 14.463 ( 0.000 -3.353 0.000) 3.353 16.028 ( 0.000 -1.724 0.000) 1.724 17.054 ( 0.000 -8.823 0.000) 8.823 17.101 ( 0.000 -7.151 0.000) 7.151 27.951 ( 0.000 7.119 0.000) 7.119 28.728 ( 0.000 4.415 0.000) 4.415 28.741 ( 0.000 3.393 0.000) 3.393 28.801 ( 0.000 4.318 0.000) 4.318 31.433 ( 0.000 1.405 0.000) 1.405 31.883 ( 0.000 -1.767 0.000) 1.767 32.654 ( 0.000 -1.941 0.000) 1.941 32.764 ( 0.000 -3.877 0.000) 3.877 83.529 ( 0.000 -0.531 0.000) 0.531 83.644 ( 0.000 -0.913 0.000) 0.913 84.042 ( 0.000 -4.108 0.000) 4.108 84.047 ( 0.000 -2.963 0.000) 2.963 ======================= Grid point 6 (5/144) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 15.595 17.707 0.000) 23.595 0.711 ( 15.253 19.610 0.000) 24.844 1.384 ( 20.234 41.980 0.000) 46.602 1.725 ( -7.120 8.843 0.000) 11.353 1.930 ( -17.198 8.110 0.000) 19.015 2.706 ( 8.871 13.680 0.000) 16.305 3.078 ( -1.788 15.507 0.000) 15.610 3.236 ( -30.012 14.506 0.000) 33.334 3.451 ( 8.451 2.507 0.000) 8.816 3.959 ( -3.218 0.465 0.000) 3.251 4.223 ( 16.845 1.251 0.000) 16.891 4.739 ( -2.496 -2.223 0.000) 3.343 6.944 ( 3.570 3.319 0.000) 4.874 7.282 ( -4.464 -10.309 0.000) 11.234 7.432 ( -2.364 -2.348 0.000) 3.332 7.537 ( -19.444 17.290 0.000) 26.020 8.384 ( -1.721 12.910 0.000) 13.024 8.409 ( -3.453 1.822 0.000) 3.904 8.579 ( 6.082 10.366 0.000) 12.018 8.963 ( -9.511 15.499 0.000) 18.185 10.535 ( 0.171 0.207 0.000) 0.268 10.542 ( 9.788 -14.664 0.000) 17.631 10.837 ( 34.933 -36.063 0.000) 50.208 10.912 ( 8.527 1.757 0.000) 8.707 11.534 ( -1.363 -30.690 0.000) 30.721 11.774 ( -4.472 4.528 0.000) 6.364 11.791 ( -10.648 2.337 0.000) 10.901 11.846 ( -0.885 7.436 0.000) 7.488 12.933 ( 15.856 -2.493 0.000) 16.051 13.720 ( -8.659 15.264 0.000) 17.549 14.142 ( 7.914 5.215 0.000) 9.478 14.388 ( 0.006 -3.023 0.000) 3.023 14.452 ( -1.021 -2.681 0.000) 2.869 15.256 ( -45.438 41.336 0.000) 61.427 17.093 ( 3.926 -9.179 0.000) 9.983 17.287 ( 5.172 -16.228 0.000) 17.032 27.966 ( 1.650 7.608 0.000) 7.785 28.344 ( -19.926 20.135 0.000) 28.328 28.744 ( 0.695 5.144 0.000) 5.191 28.796 ( -0.567 4.395 0.000) 4.431 31.841 ( 18.996 -18.807 0.000) 26.731 31.906 ( 2.328 -2.343 0.000) 3.303 32.660 ( 1.048 -2.459 0.000) 2.673 32.757 ( -0.800 -3.916 0.000) 3.997 83.553 ( 2.701 -0.644 0.000) 2.776 83.887 ( -8.220 -2.071 0.000) 8.477 84.076 ( 23.999 -25.638 0.000) 35.118 84.194 ( 7.263 -6.065 0.000) 9.462 ======================= Grid point 7 (6/144) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 18.567 10.956 0.000) 21.558 1.082 ( 20.644 8.310 0.000) 22.254 1.369 ( -13.757 10.474 0.000) 17.291 1.553 ( -21.946 6.771 0.000) 22.967 2.013 ( 30.642 28.732 0.000) 42.006 2.612 ( -30.899 19.449 0.000) 36.510 2.898 ( 5.964 17.543 0.000) 18.529 3.013 ( -5.065 16.967 0.000) 17.707 3.641 ( 10.956 -0.444 0.000) 10.965 3.834 ( -9.028 -0.889 0.000) 9.072 4.497 ( 11.679 0.038 0.000) 11.679 4.661 ( -6.139 -1.441 0.000) 6.306 7.042 ( 6.572 -0.631 0.000) 6.603 7.173 ( -6.837 -5.814 0.000) 8.975 7.360 ( -2.158 9.136 0.000) 9.387 7.378 ( -2.829 2.035 0.000) 3.485 8.366 ( -0.202 6.301 0.000) 6.304 8.374 ( -0.945 1.625 0.000) 1.880 8.705 ( 7.025 12.367 0.000) 14.223 8.832 ( -6.402 13.603 0.000) 15.034 10.547 ( 1.001 0.238 0.000) 1.029 10.567 ( -0.888 -0.844 0.000) 1.225 11.130 ( 14.159 0.788 0.000) 14.180 11.293 ( 10.597 -37.177 0.000) 38.657 11.472 ( -14.178 -4.804 0.000) 14.970 11.486 ( -4.167 -34.375 0.000) 34.627 11.798 ( 1.236 6.814 0.000) 6.925 11.824 ( -1.371 6.886 0.000) 7.021 13.246 ( 16.240 0.065 0.000) 16.240 13.519 ( -12.704 5.756 0.000) 13.947 14.319 ( 10.144 13.832 0.000) 17.153 14.390 ( 0.071 -3.383 0.000) 3.384 14.439 ( 0.948 3.749 0.000) 3.867 14.655 ( -21.199 35.895 0.000) 41.688 17.187 ( 5.652 -10.289 0.000) 11.739 17.283 ( -3.780 -12.501 0.000) 13.060 28.015 ( 3.586 9.403 0.000) 10.064 28.111 ( -7.378 13.727 0.000) 15.584 28.761 ( 1.053 4.893 0.000) 5.005 28.781 ( -0.973 4.606 0.000) 4.708 31.961 ( 3.115 -4.508 0.000) 5.480 31.995 ( 0.823 -10.070 0.000) 10.104 32.695 ( 2.289 -3.761 0.000) 4.403 32.734 ( -1.703 -3.997 0.000) 4.345 83.628 ( 5.146 -0.831 0.000) 5.213 83.743 ( -7.060 -1.247 0.000) 7.169 84.304 ( 4.017 -10.516 0.000) 11.257 84.316 ( 4.006 -18.442 0.000) 18.872 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 25.703 0.000) 25.703 1.137 ( 0.000 26.613 0.000) 26.613 1.975 ( 0.000 12.080 0.000) 12.080 2.244 ( 0.000 49.691 0.000) 49.691 2.326 ( 0.000 9.024 0.000) 9.024 2.856 ( 0.000 10.891 0.000) 10.891 3.231 ( 0.000 2.148 0.000) 2.148 3.767 ( 0.000 28.885 0.000) 28.885 3.975 ( 0.000 -4.907 0.000) 4.907 4.035 ( 0.000 21.041 0.000) 21.041 4.074 ( 0.000 20.197 0.000) 20.197 4.687 ( 0.000 -4.831 0.000) 4.831 7.049 ( 0.000 9.109 0.000) 9.109 7.091 ( 0.000 -10.013 0.000) 10.013 7.368 ( 0.000 -4.333 0.000) 4.333 7.832 ( 0.000 -4.238 0.000) 4.238 8.655 ( 0.000 8.482 0.000) 8.482 8.672 ( 0.000 8.843 0.000) 8.843 8.845 ( 0.000 21.100 0.000) 21.100 9.375 ( 0.000 -13.356 0.000) 13.356 9.553 ( 0.000 7.339 0.000) 7.339 10.521 ( 0.000 -1.743 0.000) 1.743 10.682 ( 0.000 1.056 0.000) 1.056 10.885 ( 0.000 -4.962 0.000) 4.962 10.926 ( 0.000 -20.826 0.000) 20.826 11.957 ( 0.000 -0.353 0.000) 0.353 11.971 ( 0.000 12.110 0.000) 12.110 12.077 ( 0.000 13.547 0.000) 13.547 12.680 ( 0.000 -4.432 0.000) 4.432 13.822 ( 0.000 -14.095 0.000) 14.095 14.220 ( 0.000 1.216 0.000) 1.216 14.307 ( 0.000 -5.107 0.000) 5.107 14.520 ( 0.000 17.792 0.000) 17.792 15.975 ( 0.000 -3.514 0.000) 3.514 16.807 ( 0.000 -14.853 0.000) 14.853 16.893 ( 0.000 -12.849 0.000) 12.849 28.151 ( 0.000 12.016 0.000) 12.016 28.840 ( 0.000 6.186 0.000) 6.186 28.854 ( 0.000 7.687 0.000) 7.687 28.922 ( 0.000 7.243 0.000) 7.243 31.476 ( 0.000 2.795 0.000) 2.795 31.840 ( 0.000 -2.234 0.000) 2.234 32.597 ( 0.000 -3.628 0.000) 3.628 32.656 ( 0.000 -6.462 0.000) 6.462 83.514 ( 0.000 -0.868 0.000) 0.868 83.618 ( 0.000 -1.576 0.000) 1.576 83.937 ( 0.000 -5.724 0.000) 5.724 83.969 ( 0.000 -4.371 0.000) 4.371 ======================= Grid point 11 (8/144) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 8.683 23.353 0.000) 24.915 1.175 ( 5.028 24.024 0.000) 24.545 1.868 ( -10.761 12.171 0.000) 16.246 2.103 ( -18.996 8.071 0.000) 20.640 2.391 ( 14.784 47.062 0.000) 49.330 3.004 ( 10.914 13.088 0.000) 17.042 3.284 ( 4.770 3.076 0.000) 5.676 3.666 ( -21.071 25.338 0.000) 32.955 3.747 ( -1.701 25.583 0.000) 25.640 3.950 ( -4.579 -0.461 0.000) 4.602 4.348 ( 13.257 12.551 0.000) 18.255 4.680 ( -0.873 -3.167 0.000) 3.285 7.051 ( 0.215 7.057 0.000) 7.060 7.084 ( -0.651 -8.431 0.000) 8.456 7.377 ( 0.971 -2.767 0.000) 2.932 7.717 ( -11.060 2.681 0.000) 11.381 8.485 ( -9.396 5.062 0.000) 10.673 8.597 ( -4.947 9.009 0.000) 10.278 8.911 ( 5.843 19.354 0.000) 20.217 9.259 ( -5.009 12.710 0.000) 13.661 9.998 ( 27.975 -22.089 0.000) 35.645 10.526 ( 0.480 -1.494 0.000) 1.569 10.690 ( 0.804 -0.400 0.000) 0.898 10.889 ( -2.839 -30.294 0.000) 30.427 10.968 ( 7.629 3.749 0.000) 8.500 11.786 ( -15.073 0.180 0.000) 15.074 11.980 ( 0.760 12.292 0.000) 12.315 12.064 ( -1.355 13.364 0.000) 13.432 12.845 ( 14.802 -5.718 0.000) 15.868 13.705 ( -10.774 -10.942 0.000) 15.356 14.256 ( 2.137 -4.699 0.000) 5.162 14.300 ( -0.606 -5.440 0.000) 5.473 14.608 ( 9.591 21.255 0.000) 23.319 15.698 ( -23.878 9.061 0.000) 25.539 16.837 ( 3.044 -15.275 0.000) 15.575 16.952 ( 3.319 -16.668 0.000) 16.995 28.176 ( 2.744 12.421 0.000) 12.720 28.651 ( -14.034 11.765 0.000) 18.313 28.883 ( 0.780 8.058 0.000) 8.096 28.919 ( -0.356 7.357 0.000) 7.366 31.631 ( 12.270 -4.018 0.000) 12.911 31.850 ( 0.883 -2.848 0.000) 2.981 32.596 ( 0.119 -3.831 0.000) 3.833 32.649 ( -0.708 -6.337 0.000) 6.377 83.536 ( 2.486 -1.000 0.000) 2.680 83.768 ( 12.777 -8.361 0.000) 15.269 83.832 ( -6.657 -3.215 0.000) 7.392 84.045 ( 3.404 -7.748 0.000) 8.462 ======================= Grid point 12 (9/144) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 13.286 18.723 0.000) 22.958 1.350 ( 12.698 16.505 0.000) 20.824 1.622 ( -13.325 14.572 0.000) 19.745 1.723 ( -19.656 9.826 0.000) 21.975 2.743 ( 21.286 39.423 0.000) 44.802 3.098 ( -9.276 23.403 0.000) 25.174 3.341 ( -5.775 24.681 0.000) 25.348 3.350 ( 0.624 10.460 0.000) 10.479 3.742 ( 2.443 13.602 0.000) 13.820 3.839 ( -6.645 2.445 0.000) 7.081 4.544 ( 7.747 6.082 0.000) 9.849 4.645 ( -3.291 0.830 0.000) 3.394 7.057 ( 0.456 1.841 0.000) 1.897 7.069 ( -0.797 -4.075 0.000) 4.152 7.413 ( 3.260 1.464 0.000) 3.573 7.517 ( -8.366 5.862 0.000) 10.216 8.427 ( 1.652 3.713 0.000) 4.063 8.498 ( -5.137 6.783 0.000) 8.509 9.035 ( 6.973 18.182 0.000) 19.474 9.159 ( -6.022 17.051 0.000) 18.084 10.398 ( 13.626 -20.708 0.000) 24.789 10.524 ( -1.697 -4.566 0.000) 4.871 10.719 ( 2.880 -10.073 0.000) 10.476 10.806 ( -5.490 -26.838 0.000) 27.394 11.175 ( 13.958 2.080 0.000) 14.112 11.472 ( -17.139 1.065 0.000) 17.172 12.001 ( 1.442 12.617 0.000) 12.699 12.032 ( -1.818 12.976 0.000) 13.102 13.155 ( 17.070 -7.670 0.000) 18.714 13.459 ( -15.022 -8.956 0.000) 17.489 14.278 ( 0.578 -6.922 0.000) 6.946 14.288 ( -0.594 -6.266 0.000) 6.294 14.864 ( 17.193 22.871 0.000) 28.612 15.242 ( -22.928 20.261 0.000) 30.597 16.907 ( 3.998 -16.374 0.000) 16.855 16.966 ( -1.703 -17.532 0.000) 17.615 28.257 ( 6.037 13.553 0.000) 14.837 28.411 ( -10.598 14.557 0.000) 18.006 28.897 ( 0.705 8.010 0.000) 8.041 28.909 ( -0.617 7.660 0.000) 7.685 31.810 ( 5.820 -6.823 0.000) 8.968 31.860 ( -0.319 -4.694 0.000) 4.705 32.607 ( 1.040 -4.783 0.000) 4.894 32.630 ( -1.268 -5.838 0.000) 5.974 83.605 ( 4.743 -1.326 0.000) 4.925 83.709 ( -6.224 -1.972 0.000) 6.529 83.982 ( 8.419 -13.022 0.000) 15.507 84.070 ( -1.265 -11.149 0.000) 11.220 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 23.816 0.000) 23.816 1.659 ( 0.000 24.521 0.000) 24.521 2.201 ( 0.000 11.112 0.000) 11.112 2.481 ( 0.000 6.722 0.000) 6.722 3.002 ( 0.000 3.778 0.000) 3.778 3.230 ( 0.000 44.617 0.000) 44.617 3.255 ( 0.000 0.720 0.000) 0.720 3.865 ( 0.000 -5.845 0.000) 5.845 4.396 ( 0.000 30.963 0.000) 30.963 4.542 ( 0.000 27.285 0.000) 27.285 4.575 ( 0.000 -5.473 0.000) 5.473 4.586 ( 0.000 28.222 0.000) 28.222 6.929 ( 0.000 -5.679 0.000) 5.679 7.281 ( 0.000 13.428 0.000) 13.428 7.288 ( 0.000 -3.530 0.000) 3.530 7.727 ( 0.000 -5.680 0.000) 5.680 8.844 ( 0.000 10.007 0.000) 10.007 8.853 ( 0.000 8.917 0.000) 8.917 9.096 ( 0.000 -13.454 0.000) 13.454 9.241 ( 0.000 17.221 0.000) 17.221 9.735 ( 0.000 9.342 0.000) 9.342 10.350 ( 0.000 -24.467 0.000) 24.467 10.458 ( 0.000 -4.503 0.000) 4.503 10.669 ( 0.000 -2.504 0.000) 2.504 11.012 ( 0.000 6.615 0.000) 6.615 11.952 ( 0.000 -0.055 0.000) 0.055 12.247 ( 0.000 14.047 0.000) 14.047 12.376 ( 0.000 14.908 0.000) 14.908 12.584 ( 0.000 -4.195 0.000) 4.195 13.497 ( 0.000 -17.159 0.000) 17.159 14.097 ( 0.000 -8.566 0.000) 8.566 14.185 ( 0.000 -6.727 0.000) 6.727 14.930 ( 0.000 17.830 0.000) 17.830 15.887 ( 0.000 -5.019 0.000) 5.019 16.475 ( 0.000 -16.978 0.000) 16.978 16.594 ( 0.000 -15.976 0.000) 15.976 28.422 ( 0.000 14.122 0.000) 14.122 28.986 ( 0.000 7.863 0.000) 7.863 29.028 ( 0.000 9.076 0.000) 9.076 29.082 ( 0.000 8.035 0.000) 8.035 31.547 ( 0.000 4.110 0.000) 4.110 31.802 ( 0.000 -1.264 0.000) 1.264 32.509 ( 0.000 -4.899 0.000) 4.899 32.511 ( 0.000 -7.511 0.000) 7.511 83.495 ( 0.000 -0.918 0.000) 0.918 83.582 ( 0.000 -1.855 0.000) 1.855 83.826 ( 0.000 -4.868 0.000) 4.868 83.880 ( 0.000 -4.159 0.000) 4.159 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 5.470 22.731 0.000) 23.379 1.660 ( 0.747 23.314 0.000) 23.326 2.124 ( -7.726 12.883 0.000) 15.022 2.264 ( -17.264 8.237 0.000) 19.128 3.186 ( 13.813 4.784 0.000) 14.618 3.281 ( 5.176 16.148 0.000) 16.957 3.344 ( 8.701 25.789 0.000) 27.217 3.824 ( -4.087 -4.501 0.000) 6.079 4.265 ( -9.850 19.227 0.000) 21.604 4.330 ( -13.297 31.288 0.000) 33.997 4.674 ( 6.602 7.115 0.000) 9.707 4.728 ( 6.215 23.221 0.000) 24.039 6.949 ( 2.062 -4.755 0.000) 5.183 7.219 ( -5.642 8.749 0.000) 10.411 7.325 ( 4.024 -2.258 0.000) 4.614 7.721 ( -2.374 -0.709 0.000) 2.478 8.595 ( -11.688 5.221 0.000) 12.801 8.788 ( -5.562 9.975 0.000) 11.421 9.288 ( 4.594 16.773 0.000) 17.391 9.388 ( 14.261 -2.813 0.000) 14.535 9.766 ( 5.263 1.033 0.000) 5.364 10.316 ( -3.937 -23.224 0.000) 23.555 10.486 ( 2.907 -4.851 0.000) 5.656 10.662 ( -0.941 -2.740 0.000) 2.897 11.065 ( 5.873 5.685 0.000) 8.174 11.793 ( -14.103 0.551 0.000) 14.114 12.265 ( 1.311 14.894 0.000) 14.952 12.362 ( -1.473 15.009 0.000) 15.081 12.714 ( 11.764 -6.676 0.000) 13.527 13.418 ( -7.967 -15.967 0.000) 17.844 14.103 ( 0.605 -8.680 0.000) 8.701 14.172 ( -1.259 -6.991 0.000) 7.104 15.016 ( 8.772 16.668 0.000) 18.835 15.772 ( -11.237 -0.221 0.000) 11.239 16.498 ( 2.249 -17.319 0.000) 17.464 16.604 ( 0.459 -17.378 0.000) 17.384 28.452 ( 3.231 14.191 0.000) 14.554 28.872 ( -9.032 10.383 0.000) 13.762 29.058 ( 1.154 8.804 0.000) 8.880 29.081 ( -0.105 8.158 0.000) 8.159 31.614 ( 6.097 1.496 0.000) 6.277 31.803 ( -0.106 -1.560 0.000) 1.563 32.505 ( -0.336 -5.045 0.000) 5.056 32.509 ( -0.266 -7.268 0.000) 7.273 83.515 ( 2.224 -0.998 0.000) 2.438 83.650 ( 6.412 -4.074 0.000) 7.597 83.765 ( -4.847 -3.170 0.000) 5.792 83.901 ( 0.464 -6.141 0.000) 6.159 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 8.295 19.578 0.000) 21.263 1.716 ( 5.484 18.907 0.000) 19.687 1.947 ( -9.731 16.682 0.000) 19.313 1.959 ( -13.122 13.456 0.000) 18.795 3.388 ( 4.861 5.492 0.000) 7.334 3.392 ( 6.065 5.936 0.000) 8.486 3.547 ( 11.659 26.288 0.000) 28.758 3.723 ( -6.756 4.926 0.000) 8.361 4.097 ( -6.464 17.558 0.000) 18.710 4.107 ( -8.325 28.718 0.000) 29.900 4.772 ( 3.527 13.668 0.000) 14.116 4.797 ( 1.095 18.498 0.000) 18.531 7.007 ( 4.204 -2.031 0.000) 4.669 7.104 ( -5.998 2.435 0.000) 6.473 7.437 ( 7.809 0.850 0.000) 7.855 7.604 ( -9.061 3.050 0.000) 9.561 8.533 ( 3.730 6.725 0.000) 7.690 8.656 ( -7.847 8.929 0.000) 11.887 9.391 ( 5.764 15.843 0.000) 16.859 9.476 ( -2.267 12.713 0.000) 12.914 9.970 ( 13.596 -16.927 0.000) 21.711 10.192 ( -9.381 -21.173 0.000) 23.158 10.556 ( 4.131 -4.409 0.000) 6.042 10.626 ( -2.967 -3.455 0.000) 4.554 11.235 ( 12.055 3.581 0.000) 12.576 11.502 ( -15.781 1.771 0.000) 15.880 12.292 ( 1.695 15.302 0.000) 15.395 12.328 ( -1.987 15.218 0.000) 15.347 12.965 ( 14.145 -10.390 0.000) 17.551 13.220 ( -12.628 -13.529 0.000) 18.506 14.118 ( 1.086 -8.393 0.000) 8.463 14.144 ( -1.564 -7.665 0.000) 7.823 15.235 ( 13.956 13.402 0.000) 19.349 15.514 ( -15.136 7.708 0.000) 16.986 16.550 ( 2.923 -18.072 0.000) 18.307 16.595 ( -1.583 -18.444 0.000) 18.512 28.543 ( 6.506 14.149 0.000) 15.573 28.693 ( -9.267 13.153 0.000) 16.090 29.072 ( 0.446 8.778 0.000) 8.789 29.078 ( -0.230 8.467 0.000) 8.470 31.727 ( 5.013 -1.610 0.000) 5.265 31.789 ( -1.726 -2.114 0.000) 2.729 32.500 ( -0.081 -5.635 0.000) 5.635 32.503 ( -0.295 -6.557 0.000) 6.564 83.577 ( 4.239 -1.326 0.000) 4.442 83.668 ( -5.232 -1.973 0.000) 5.592 83.782 ( 6.651 -7.125 0.000) 9.747 83.877 ( -3.204 -7.638 0.000) 8.283 ======================= Grid point 20 (13/144) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 18.983 0.000) 18.983 2.135 ( 0.000 22.200 0.000) 22.200 2.426 ( 0.000 10.796 0.000) 10.796 2.628 ( 0.000 8.295 0.000) 8.295 3.034 ( 0.000 -0.157 0.000) 0.157 3.262 ( 0.000 -0.151 0.000) 0.151 3.735 ( 0.000 -6.924 0.000) 6.924 3.932 ( 0.000 17.307 0.000) 17.307 4.570 ( 0.000 11.384 0.000) 11.384 4.982 ( 0.000 25.758 0.000) 25.758 5.092 ( 0.000 25.511 0.000) 25.511 5.156 ( 0.000 26.319 0.000) 26.319 6.862 ( 0.000 -0.924 0.000) 0.924 7.225 ( 0.000 -2.624 0.000) 2.624 7.580 ( 0.000 15.187 0.000) 15.187 7.624 ( 0.000 -3.782 0.000) 3.782 8.847 ( 0.000 -10.286 0.000) 10.286 9.038 ( 0.000 9.100 0.000) 9.100 9.058 ( 0.000 10.792 0.000) 10.792 9.531 ( 0.000 10.328 0.000) 10.328 9.891 ( 0.000 5.342 0.000) 5.342 9.939 ( 0.000 -14.795 0.000) 14.795 10.338 ( 0.000 -7.151 0.000) 7.151 10.582 ( 0.000 -5.905 0.000) 5.905 11.158 ( 0.000 7.590 0.000) 7.590 11.957 ( 0.000 0.562 0.000) 0.562 12.383 ( 0.000 -3.268 0.000) 3.268 12.633 ( 0.000 7.679 0.000) 7.679 12.659 ( 0.000 13.902 0.000) 13.902 13.164 ( 0.000 -13.143 0.000) 13.143 13.918 ( 0.000 -8.594 0.000) 8.594 14.037 ( 0.000 -7.720 0.000) 7.720 15.216 ( 0.000 10.417 0.000) 10.417 15.777 ( 0.000 -5.545 0.000) 5.545 16.139 ( 0.000 -15.509 0.000) 15.509 16.263 ( 0.000 -16.005 0.000) 16.005 28.711 ( 0.000 13.924 0.000) 13.924 29.151 ( 0.000 8.091 0.000) 8.091 29.210 ( 0.000 8.431 0.000) 8.431 29.235 ( 0.000 6.701 0.000) 6.701 31.642 ( 0.000 5.230 0.000) 5.230 31.793 ( 0.000 0.430 0.000) 0.430 32.357 ( 0.000 -7.488 0.000) 7.488 32.400 ( 0.000 -5.723 0.000) 5.723 83.478 ( 0.000 -0.709 0.000) 0.709 83.545 ( 0.000 -1.767 0.000) 1.767 83.745 ( 0.000 -3.002 0.000) 3.002 83.805 ( 0.000 -3.169 0.000) 3.169 ======================= Grid point 21 (14/144) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 3.685 18.414 0.000) 18.779 2.119 ( -1.336 21.578 0.000) 21.620 2.385 ( -4.274 12.545 0.000) 13.253 2.457 ( -12.504 10.943 0.000) 16.617 3.222 ( 14.154 -0.607 0.000) 14.167 3.297 ( 3.607 -0.899 0.000) 3.717 3.706 ( -2.617 -6.708 0.000) 7.201 3.925 ( -1.634 10.736 0.000) 10.860 4.540 ( -1.217 19.823 0.000) 19.860 4.956 ( -10.005 28.746 0.000) 30.437 5.048 ( 5.780 22.879 0.000) 23.598 5.220 ( 2.456 23.398 0.000) 23.527 6.893 ( 3.360 -0.641 0.000) 3.421 7.283 ( 6.094 -1.944 0.000) 6.397 7.367 ( -12.508 4.890 0.000) 13.430 7.748 ( 1.883 4.109 0.000) 4.520 8.676 ( -6.479 2.650 0.000) 7.000 9.004 ( -5.550 11.095 0.000) 12.406 9.296 ( 16.841 -2.253 0.000) 16.991 9.575 ( 4.360 10.707 0.000) 11.560 9.873 ( -1.969 5.407 0.000) 5.754 9.914 ( -2.792 -14.865 0.000) 15.125 10.372 ( 3.464 -6.807 0.000) 7.637 10.575 ( -0.943 -5.701 0.000) 5.778 11.194 ( 3.996 6.771 0.000) 7.862 11.810 ( -12.968 1.237 0.000) 13.026 12.463 ( 6.006 -2.109 0.000) 6.366 12.622 ( -1.061 7.769 0.000) 7.841 12.688 ( 3.360 10.532 0.000) 11.055 13.106 ( -5.854 -11.969 0.000) 13.324 13.925 ( 0.729 -8.534 0.000) 8.565 14.020 ( -1.623 -7.786 0.000) 7.954 15.277 ( 6.192 9.229 0.000) 11.114 15.729 ( -5.034 -3.374 0.000) 6.060 16.155 ( 1.647 -15.765 0.000) 15.851 16.256 ( -0.780 -16.349 0.000) 16.367 28.740 ( 3.058 13.755 0.000) 14.091 29.077 ( -6.208 9.600 0.000) 11.432 29.231 ( 1.028 7.925 0.000) 7.992 29.237 ( 0.161 6.835 0.000) 6.837 31.673 ( 2.902 4.007 0.000) 4.948 31.791 ( -0.348 0.430 0.000) 0.553 32.359 ( 0.240 -7.277 0.000) 7.281 32.394 ( -0.627 -5.817 0.000) 5.850 83.497 ( 2.062 -0.724 0.000) 2.185 83.584 ( 3.880 -2.602 0.000) 4.672 83.709 ( -3.423 -2.218 0.000) 4.078 83.798 ( -1.138 -3.961 0.000) 4.122 ======================= Grid point 22 (15/144) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.559 16.862 0.000) 17.467 2.107 ( 0.255 19.128 0.000) 19.130 2.268 ( -5.987 16.322 0.000) 17.386 2.283 ( -5.565 15.953 0.000) 16.896 3.385 ( 5.086 -1.995 0.000) 5.463 3.425 ( 4.051 -1.295 0.000) 4.252 3.692 ( 3.949 -5.344 0.000) 6.645 3.835 ( -7.917 -0.114 0.000) 7.918 4.587 ( 6.472 30.197 0.000) 30.883 4.756 ( -10.676 31.291 0.000) 33.062 5.157 ( 5.159 20.947 0.000) 21.572 5.225 ( -1.826 21.433 0.000) 21.510 6.989 ( 6.892 0.358 0.000) 6.901 7.150 ( -10.265 2.222 0.000) 10.502 7.445 ( 10.716 -0.248 0.000) 10.719 7.654 ( -10.213 1.815 0.000) 10.373 8.696 ( 7.050 9.111 0.000) 11.520 8.862 ( -9.150 11.076 0.000) 14.367 9.575 ( 11.987 -3.875 0.000) 12.598 9.663 ( 3.326 10.605 0.000) 11.114 9.821 ( -3.140 3.033 0.000) 4.366 9.832 ( -5.220 -13.553 0.000) 14.524 10.455 ( 4.909 -5.980 0.000) 7.736 10.536 ( -3.340 -5.511 0.000) 6.445 11.319 ( 9.562 4.683 0.000) 10.647 11.546 ( -14.036 2.618 0.000) 14.278 12.551 ( 3.210 4.105 0.000) 5.211 12.595 ( -1.783 7.376 0.000) 7.588 12.797 ( 8.013 -0.347 0.000) 8.021 12.962 ( -8.929 -8.249 0.000) 12.157 13.946 ( 1.594 -8.305 0.000) 8.457 13.983 ( -2.159 -7.999 0.000) 8.285 15.427 ( 9.207 5.992 0.000) 10.985 15.598 ( -8.508 1.353 0.000) 8.615 16.194 ( 2.251 -16.322 0.000) 16.476 16.232 ( -1.729 -16.645 0.000) 16.734 28.823 ( 5.714 13.106 0.000) 14.297 28.947 ( -7.181 11.676 0.000) 13.707 29.240 ( 0.173 7.181 0.000) 7.183 29.241 ( 0.141 7.584 0.000) 7.585 31.732 ( 3.008 1.892 0.000) 3.553 31.775 ( -1.483 0.704 0.000) 1.641 32.367 ( 0.547 -6.737 0.000) 6.759 32.379 ( -0.795 -6.158 0.000) 6.209 83.554 ( 3.808 -0.919 0.000) 3.917 83.633 ( -4.391 -1.387 0.000) 4.605 83.672 ( 4.965 -4.003 0.000) 6.378 83.754 ( -3.543 -4.542 0.000) 5.760 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 0.000 13.922 0.000) 13.922 2.564 ( 0.000 19.822 0.000) 19.822 2.639 ( 0.000 10.048 0.000) 10.048 2.825 ( 0.000 10.675 0.000) 10.675 3.002 ( 0.000 -2.981 0.000) 2.981 3.242 ( 0.000 -1.905 0.000) 1.905 3.582 ( 0.000 -7.980 0.000) 7.980 3.927 ( 0.000 -9.882 0.000) 9.882 5.032 ( 0.000 25.806 0.000) 25.806 5.423 ( 0.000 17.037 0.000) 17.037 5.547 ( 0.000 18.587 0.000) 18.587 5.619 ( 0.000 18.450 0.000) 18.450 6.888 ( 0.000 3.289 0.000) 3.289 7.178 ( 0.000 -2.096 0.000) 2.096 7.590 ( 0.000 0.612 0.000) 0.612 7.844 ( 0.000 8.697 0.000) 8.697 8.722 ( 0.000 -0.414 0.000) 0.414 9.207 ( 0.000 6.794 0.000) 6.794 9.275 ( 0.000 10.163 0.000) 10.163 9.566 ( 0.000 -5.232 0.000) 5.232 9.847 ( 0.000 4.184 0.000) 4.184 9.949 ( 0.000 0.849 0.000) 0.849 10.174 ( 0.000 -8.652 0.000) 8.652 10.435 ( 0.000 -8.242 0.000) 8.242 11.322 ( 0.000 8.692 0.000) 8.692 11.977 ( 0.000 1.445 0.000) 1.445 12.278 ( 0.000 -5.692 0.000) 5.692 12.535 ( 0.000 -15.434 0.000) 15.434 12.975 ( 0.000 15.381 0.000) 15.381 13.117 ( 0.000 6.858 0.000) 6.858 13.752 ( 0.000 -7.672 0.000) 7.672 13.873 ( 0.000 -8.331 0.000) 8.331 15.373 ( 0.000 5.515 0.000) 5.515 15.672 ( 0.000 -4.448 0.000) 4.448 15.859 ( 0.000 -11.747 0.000) 11.747 15.961 ( 0.000 -13.157 0.000) 13.157 28.978 ( 0.000 11.982 0.000) 11.982 29.305 ( 0.000 6.810 0.000) 6.810 29.344 ( 0.000 3.704 0.000) 3.704 29.361 ( 0.000 6.127 0.000) 6.127 31.758 ( 0.000 6.017 0.000) 6.017 31.820 ( 0.000 2.163 0.000) 2.163 32.210 ( 0.000 -6.883 0.000) 6.883 32.278 ( 0.000 -6.187 0.000) 6.187 83.467 ( 0.000 -0.343 0.000) 0.343 83.512 ( 0.000 -1.436 0.000) 1.436 83.703 ( 0.000 -1.274 0.000) 1.274 83.751 ( 0.000 -2.128 0.000) 2.128 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 3.383 14.242 0.000) 14.638 2.535 ( -2.334 18.831 0.000) 18.975 2.634 ( -1.285 12.259 0.000) 12.326 2.699 ( -7.691 12.014 0.000) 14.265 3.178 ( 12.657 -3.409 0.000) 13.108 3.260 ( 2.119 -2.823 0.000) 3.530 3.556 ( -2.498 -7.932 0.000) 8.316 3.870 ( -6.007 -9.944 0.000) 11.618 5.069 ( 3.902 26.066 0.000) 26.357 5.459 ( 3.607 16.375 0.000) 16.768 5.468 ( -6.722 20.923 0.000) 21.977 5.636 ( 0.194 16.716 0.000) 16.718 6.921 ( 3.590 3.240 0.000) 4.836 7.242 ( 6.715 -2.201 0.000) 7.066 7.439 ( -12.270 3.367 0.000) 12.724 7.836 ( -4.519 2.224 0.000) 5.037 8.747 ( 4.619 6.082 0.000) 7.637 9.232 ( -4.669 10.947 0.000) 11.901 9.317 ( 9.671 2.933 0.000) 10.106 9.609 ( 3.783 -5.705 0.000) 6.845 9.830 ( -1.568 4.864 0.000) 5.111 9.941 ( -1.075 1.479 0.000) 1.829 10.212 ( 4.018 -8.609 0.000) 9.500 10.434 ( -0.491 -7.990 0.000) 8.005 11.343 ( 2.476 8.084 0.000) 8.454 11.847 ( -11.511 2.500 0.000) 11.779 12.328 ( 3.821 -8.015 0.000) 8.879 12.516 ( -2.007 -15.504 0.000) 15.634 12.982 ( 0.749 14.959 0.000) 14.978 13.094 ( -2.232 8.164 0.000) 8.463 13.759 ( 0.799 -7.686 0.000) 7.727 13.857 ( -1.559 -8.203 0.000) 8.349 15.412 ( 3.954 4.600 0.000) 6.066 15.655 ( -1.929 -3.443 0.000) 3.946 15.871 ( 1.233 -11.884 0.000) 11.947 15.953 ( -0.845 -12.991 0.000) 13.019 29.002 ( 2.548 11.717 0.000) 11.990 29.257 ( -4.258 7.857 0.000) 8.937 29.348 ( 0.473 3.869 0.000) 3.898 29.371 ( 0.440 5.564 0.000) 5.582 31.770 ( 1.163 5.357 0.000) 5.482 31.819 ( -0.124 2.308 0.000) 2.311 32.215 ( 0.577 -6.775 0.000) 6.799 32.271 ( -0.766 -6.207 0.000) 6.254 83.487 ( 2.037 -0.308 0.000) 2.061 83.540 ( 2.865 -1.771 0.000) 3.368 83.676 ( -2.650 -0.978 0.000) 2.824 83.735 ( -1.826 -2.393 0.000) 3.010 ======================= Grid point 27 (18/144) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 5.294 15.507 0.000) 16.386 2.489 ( -3.000 18.197 0.000) 18.443 2.589 ( -2.409 14.051 0.000) 14.256 2.594 ( -3.152 15.028 0.000) 15.355 3.323 ( 4.222 -4.088 0.000) 5.877 3.366 ( 3.338 -4.248 0.000) 5.403 3.542 ( 4.757 -8.971 0.000) 10.154 3.714 ( -10.069 -9.639 0.000) 13.939 5.175 ( 7.167 25.564 0.000) 26.549 5.323 ( -8.263 23.634 0.000) 25.037 5.540 ( 4.484 15.509 0.000) 16.144 5.611 ( -2.781 15.561 0.000) 15.807 7.027 ( 7.713 3.368 0.000) 8.416 7.208 ( -11.458 3.778 0.000) 12.065 7.420 ( 11.845 -2.327 0.000) 12.072 7.660 ( -12.661 -1.733 0.000) 12.779 8.903 ( 10.707 11.266 0.000) 15.542 9.099 ( -9.314 11.940 0.000) 15.143 9.506 ( 9.435 -1.470 0.000) 9.549 9.636 ( -3.191 -5.444 0.000) 6.311 9.830 ( 2.879 5.386 0.000) 6.107 9.901 ( -3.339 2.948 0.000) 4.454 10.310 ( 5.755 -8.103 0.000) 9.939 10.400 ( -3.384 -7.717 0.000) 8.426 11.430 ( 7.191 6.397 0.000) 9.624 11.614 ( -12.072 4.328 0.000) 12.824 12.397 ( 3.621 -12.155 0.000) 12.682 12.464 ( -3.345 -14.877 0.000) 15.249 13.004 ( 1.688 13.564 0.000) 13.669 13.045 ( -2.603 11.039 0.000) 11.342 13.783 ( 1.692 -7.755 0.000) 7.937 13.820 ( -2.165 -7.942 0.000) 8.232 15.505 ( 5.402 2.207 0.000) 5.836 15.597 ( -4.161 -0.850 0.000) 4.247 15.900 ( 1.722 -12.234 0.000) 12.355 15.931 ( -1.490 -12.641 0.000) 12.729 29.070 ( 4.531 10.887 0.000) 11.792 29.164 ( -5.296 9.498 0.000) 10.875 29.360 ( 0.684 4.314 0.000) 4.368 29.371 ( -0.403 4.911 0.000) 4.928 31.794 ( 1.281 3.985 0.000) 4.186 31.813 ( -0.645 2.861 0.000) 2.933 32.231 ( 1.027 -6.528 0.000) 6.608 32.252 ( -1.147 -6.307 0.000) 6.411 83.541 ( 3.572 -0.344 0.000) 3.589 83.609 ( 4.125 -2.357 0.000) 4.750 83.613 ( -3.868 -0.566 0.000) 3.909 83.683 ( -3.566 -2.615 0.000) 4.422 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.000 11.256 0.000) 11.256 2.833 ( 0.000 8.894 0.000) 8.894 2.909 ( 0.000 -6.211 0.000) 6.211 2.930 ( 0.000 14.576 0.000) 14.576 3.043 ( 0.000 10.318 0.000) 10.318 3.195 ( 0.000 -1.243 0.000) 1.243 3.414 ( 0.000 -8.401 0.000) 8.401 3.670 ( 0.000 -14.376 0.000) 14.376 5.473 ( 0.000 16.455 0.000) 16.455 5.666 ( 0.000 6.693 0.000) 6.693 5.840 ( 0.000 10.136 0.000) 10.136 5.893 ( 0.000 8.263 0.000) 8.263 6.978 ( 0.000 4.951 0.000) 4.951 7.134 ( 0.000 -2.433 0.000) 2.433 7.648 ( 0.000 4.805 0.000) 4.805 7.887 ( 0.000 -3.522 0.000) 3.522 8.857 ( 0.000 12.168 0.000) 12.168 9.270 ( 0.000 -1.854 0.000) 1.854 9.450 ( 0.000 6.203 0.000) 6.203 9.494 ( 0.000 -0.975 0.000) 0.975 9.923 ( 0.000 1.950 0.000) 1.950 9.970 ( 0.000 2.601 0.000) 2.601 10.009 ( 0.000 -6.537 0.000) 6.537 10.255 ( 0.000 -9.115 0.000) 9.115 11.529 ( 0.000 11.960 0.000) 11.960 12.017 ( 0.000 2.528 0.000) 2.528 12.168 ( 0.000 -4.888 0.000) 4.888 12.172 ( 0.000 -18.433 0.000) 18.433 13.264 ( 0.000 12.835 0.000) 12.835 13.288 ( 0.000 8.581 0.000) 8.581 13.602 ( 0.000 -7.194 0.000) 7.194 13.696 ( 0.000 -9.023 0.000) 9.023 15.462 ( 0.000 3.693 0.000) 3.693 15.609 ( 0.000 -1.474 0.000) 1.474 15.663 ( 0.000 -7.571 0.000) 7.571 15.740 ( 0.000 -8.392 0.000) 8.392 29.191 ( 0.000 8.744 0.000) 8.744 29.379 ( 0.000 -0.308 0.000) 0.308 29.420 ( 0.000 4.249 0.000) 4.249 29.453 ( 0.000 2.808 0.000) 2.808 31.880 ( 0.000 3.651 0.000) 3.651 31.885 ( 0.000 6.417 0.000) 6.417 32.078 ( 0.000 -5.979 0.000) 5.979 32.149 ( 0.000 -6.422 0.000) 6.422 83.465 ( 0.000 0.089 0.000) 0.089 83.487 ( 0.000 -0.998 0.000) 0.998 83.690 ( 0.000 -0.082 0.000) 0.082 83.717 ( 0.000 -1.323 0.000) 1.323 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 4.828 12.136 0.000) 13.062 2.829 ( -0.132 10.517 0.000) 10.518 2.893 ( -1.404 4.200 0.000) 4.428 2.935 ( -0.756 16.033 0.000) 16.051 3.114 ( 6.831 -0.434 0.000) 6.844 3.182 ( -0.335 -4.196 0.000) 4.210 3.389 ( -2.583 -8.314 0.000) 8.706 3.617 ( -5.467 -14.096 0.000) 15.119 5.507 ( 3.438 16.173 0.000) 16.535 5.696 ( 2.951 6.534 0.000) 7.169 5.799 ( -3.998 11.477 0.000) 12.153 5.884 ( -1.288 7.440 0.000) 7.550 7.011 ( 3.647 5.091 0.000) 6.263 7.189 ( 5.838 -3.124 0.000) 6.622 7.531 ( -10.719 5.786 0.000) 12.181 7.801 ( -9.085 -5.119 0.000) 10.428 8.948 ( 8.908 12.673 0.000) 15.491 9.342 ( 6.836 -2.141 0.000) 7.163 9.431 ( -2.530 7.858 0.000) 8.255 9.540 ( 3.898 -0.802 0.000) 3.980 9.905 ( -1.445 1.815 0.000) 2.320 9.972 ( -0.155 2.847 0.000) 2.851 10.040 ( 3.513 -7.497 0.000) 8.279 10.257 ( -0.166 -9.023 0.000) 9.025 11.538 ( 1.278 11.440 0.000) 11.511 11.917 ( -9.114 4.349 0.000) 10.099 12.160 ( -1.160 -17.909 0.000) 17.946 12.167 ( -0.798 -7.576 0.000) 7.618 13.263 ( -0.051 12.501 0.000) 12.502 13.281 ( -0.597 9.106 0.000) 9.126 13.608 ( 0.639 -7.329 0.000) 7.356 13.685 ( -1.187 -8.800 0.000) 8.880 15.486 ( 2.381 3.097 0.000) 3.906 15.605 ( -0.502 -1.082 0.000) 1.192 15.674 ( 1.126 -7.514 0.000) 7.598 15.737 ( -0.377 -8.138 0.000) 8.147 29.210 ( 1.942 8.464 0.000) 8.684 29.388 ( 0.870 -0.100 0.000) 0.875 29.390 ( -2.736 5.060 0.000) 5.753 29.451 ( -0.419 2.202 0.000) 2.241 31.882 ( 0.242 3.813 0.000) 3.820 31.887 ( 0.150 6.038 0.000) 6.040 32.085 ( 0.676 -5.985 0.000) 6.023 32.142 ( -0.718 -6.344 0.000) 6.385 83.485 ( 2.110 0.151 0.000) 2.115 83.511 ( 2.443 -1.146 0.000) 2.699 83.667 ( -2.331 0.024 0.000) 2.331 83.697 ( -2.085 -1.418 0.000) 2.521 ======================= Grid point 32 (21/144) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 7.848 14.222 0.000) 16.243 2.831 ( -0.777 13.669 0.000) 13.691 2.865 ( -1.438 11.097 0.000) 11.190 2.867 ( -5.109 14.755 0.000) 15.614 3.216 ( 3.624 -6.469 0.000) 7.415 3.254 ( 4.502 -6.688 0.000) 8.062 3.343 ( 0.791 -9.998 0.000) 10.029 3.479 ( -8.825 -13.096 0.000) 15.792 5.594 ( 5.608 15.221 0.000) 16.221 5.704 ( -5.787 13.549 0.000) 14.734 5.766 ( 4.207 6.365 0.000) 7.629 5.840 ( -3.365 6.621 0.000) 7.427 7.120 ( 8.105 5.548 0.000) 9.822 7.310 ( -11.700 6.083 0.000) 13.187 7.348 ( 10.943 -4.600 0.000) 11.870 7.581 ( -13.124 -5.674 0.000) 14.298 9.147 ( 11.221 12.215 0.000) 16.587 9.334 ( -7.949 10.604 0.000) 13.253 9.485 ( 7.376 -2.163 0.000) 7.687 9.578 ( -1.447 -1.497 0.000) 2.082 9.901 ( 1.808 2.489 0.000) 3.076 9.951 ( -2.299 3.056 0.000) 3.824 10.136 ( 5.944 -8.593 0.000) 10.448 10.229 ( -3.326 -8.833 0.000) 9.439 11.592 ( 4.957 9.821 0.000) 11.002 11.731 ( -9.499 7.254 0.000) 11.952 12.139 ( -0.659 -15.989 0.000) 16.002 12.144 ( -1.108 -12.249 0.000) 12.299 13.264 ( 0.126 11.593 0.000) 11.593 13.270 ( -0.524 10.323 0.000) 10.336 13.627 ( 1.352 -7.714 0.000) 7.831 13.656 ( -1.691 -8.271 0.000) 8.442 15.539 ( 2.941 1.640 0.000) 3.367 15.585 ( -1.759 0.042 0.000) 1.760 15.700 ( 1.447 -7.471 0.000) 7.610 15.724 ( -1.024 -7.683 0.000) 7.751 29.260 ( 3.333 7.649 0.000) 8.344 29.328 ( -3.685 6.417 0.000) 7.400 29.410 ( 1.373 0.478 0.000) 1.454 29.435 ( -1.231 1.298 0.000) 1.789 31.887 ( 0.209 4.329 0.000) 4.334 31.889 ( 0.033 5.171 0.000) 5.171 32.102 ( 1.117 -6.037 0.000) 6.140 32.124 ( -1.144 -6.175 0.000) 6.280 83.539 ( 3.528 0.221 0.000) 3.535 83.571 ( 3.766 -1.401 0.000) 4.019 83.609 ( -3.641 0.179 0.000) 3.646 83.642 ( -3.569 -1.509 0.000) 3.875 ======================= Grid point 35 (22/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 0.000 -9.221 0.000) 9.221 2.750 ( 0.000 9.221 0.000) 9.221 2.990 ( 0.000 -5.808 0.000) 5.808 2.990 ( 0.000 5.808 0.000) 5.808 3.239 ( 0.000 -8.944 0.000) 8.944 3.239 ( 0.000 8.944 0.000) 8.944 3.363 ( 0.000 -15.000 0.000) 15.000 3.363 ( 0.000 15.000 0.000) 15.000 5.689 ( 0.000 -4.640 0.000) 4.640 5.689 ( 0.000 4.640 0.000) 4.640 5.960 ( 0.000 -1.481 0.000) 1.481 5.960 ( 0.000 1.481 0.000) 1.481 7.071 ( 0.000 -3.863 0.000) 3.863 7.071 ( 0.000 3.863 0.000) 3.863 7.770 ( 0.000 -6.682 0.000) 6.682 7.770 ( 0.000 6.682 0.000) 6.682 9.122 ( 0.000 -11.704 0.000) 11.704 9.122 ( 0.000 11.704 0.000) 11.704 9.504 ( 0.000 -0.460 0.000) 0.460 9.504 ( 0.000 0.460 0.000) 0.460 9.938 ( 0.000 -0.787 0.000) 0.787 9.938 ( 0.000 0.787 0.000) 0.787 10.079 ( 0.000 -7.635 0.000) 7.635 10.079 ( 0.000 7.635 0.000) 7.635 11.816 ( 0.000 -16.074 0.000) 16.074 11.816 ( 0.000 16.074 0.000) 16.074 12.081 ( 0.000 -3.711 0.000) 3.711 12.081 ( 0.000 3.711 0.000) 3.711 13.453 ( 0.000 -7.612 0.000) 7.612 13.453 ( 0.000 7.612 0.000) 7.612 13.500 ( 0.000 -10.422 0.000) 10.422 13.500 ( 0.000 10.422 0.000) 10.422 15.542 ( 0.000 -4.575 0.000) 4.575 15.542 ( 0.000 4.575 0.000) 4.575 15.623 ( 0.000 -3.086 0.000) 3.086 15.623 ( 0.000 3.086 0.000) 3.086 29.329 ( 0.000 -4.668 0.000) 4.668 29.329 ( 0.000 4.668 0.000) 4.668 29.473 ( 0.000 -0.856 0.000) 0.856 29.473 ( 0.000 0.856 0.000) 0.856 31.967 ( 0.000 -4.899 0.000) 4.899 31.967 ( 0.000 4.899 0.000) 4.899 32.017 ( 0.000 -6.511 0.000) 6.511 32.017 ( 0.000 6.511 0.000) 6.511 83.471 ( 0.000 -0.540 0.000) 0.540 83.471 ( 0.000 0.540 0.000) 0.540 83.696 ( 0.000 -0.680 0.000) 0.680 83.696 ( 0.000 0.680 0.000) 0.680 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 6.028 -9.217 0.000) 11.013 2.810 ( 6.028 9.217 0.000) 11.013 3.012 ( 2.117 -7.184 0.000) 7.489 3.012 ( 2.117 7.184 0.000) 7.489 3.221 ( -1.901 -8.039 0.000) 8.261 3.221 ( -1.901 8.039 0.000) 8.261 3.312 ( -5.263 -15.325 0.000) 16.203 3.312 ( -5.263 15.325 0.000) 16.203 5.718 ( 2.957 -4.526 0.000) 5.406 5.718 ( 2.957 4.526 0.000) 5.406 5.937 ( -2.351 -2.149 0.000) 3.185 5.937 ( -2.351 2.149 0.000) 3.185 7.112 ( 4.424 -4.474 0.000) 6.292 7.112 ( 4.424 4.474 0.000) 6.292 7.667 ( -9.972 -7.177 0.000) 12.286 7.667 ( -9.972 7.177 0.000) 12.286 9.203 ( 7.804 -10.873 0.000) 13.384 9.203 ( 7.804 10.873 0.000) 13.384 9.530 ( 1.711 -1.872 0.000) 2.536 9.530 ( 1.711 1.872 0.000) 2.536 9.935 ( 0.404 -2.584 0.000) 2.615 9.935 ( 0.404 2.584 0.000) 2.615 10.082 ( -0.060 -7.640 0.000) 7.640 10.082 ( -0.060 7.640 0.000) 7.640 11.814 ( 0.091 -15.527 0.000) 15.527 11.814 ( 0.091 15.527 0.000) 15.527 12.025 ( -5.405 -6.228 0.000) 8.246 12.025 ( -5.405 6.228 0.000) 8.246 13.454 ( 0.205 -7.896 0.000) 7.899 13.454 ( 0.205 7.896 0.000) 7.899 13.493 ( -0.680 -10.155 0.000) 10.178 13.493 ( -0.680 10.155 0.000) 10.178 15.557 ( 1.470 -4.271 0.000) 4.517 15.557 ( 1.470 4.271 0.000) 4.517 15.623 ( -0.099 -3.084 0.000) 3.085 15.623 ( -0.099 3.084 0.000) 3.085 29.342 ( 1.364 -4.415 0.000) 4.621 29.342 ( 1.364 4.415 0.000) 4.621 29.458 ( -1.476 -1.538 0.000) 2.132 29.458 ( -1.476 1.538 0.000) 2.132 31.973 ( 0.546 -5.003 0.000) 5.033 31.973 ( 0.546 5.003 0.000) 5.033 32.013 ( -0.435 -6.306 0.000) 6.321 32.013 ( -0.435 6.306 0.000) 6.321 83.493 ( 2.238 -0.625 0.000) 2.324 83.493 ( 2.238 0.625 0.000) 2.324 83.675 ( -2.201 -0.738 0.000) 2.321 83.675 ( -2.201 0.738 0.000) 2.321 ======================= Grid point 39 (24/144) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 8.490 -6.902 0.000) 10.942 2.954 ( 8.490 6.902 0.000) 10.942 3.050 ( 0.477 -8.529 0.000) 8.542 3.050 ( 0.477 8.529 0.000) 8.542 3.175 ( -2.442 -4.205 0.000) 4.862 3.175 ( -2.442 4.205 0.000) 4.862 3.191 ( -5.922 -14.558 0.000) 15.717 3.191 ( -5.922 14.558 0.000) 15.717 5.791 ( 4.527 -4.099 0.000) 6.107 5.791 ( 4.527 4.099 0.000) 6.107 5.875 ( -4.159 -3.259 0.000) 5.284 5.875 ( -4.159 3.259 0.000) 5.284 7.240 ( 9.221 -5.837 0.000) 10.913 7.240 ( 9.221 5.837 0.000) 10.913 7.447 ( -12.309 -7.033 0.000) 14.177 7.447 ( -12.309 7.033 0.000) 14.177 9.372 ( 9.162 -8.942 0.000) 12.803 9.372 ( 9.162 8.942 0.000) 12.803 9.510 ( -4.651 -6.126 0.000) 7.691 9.510 ( -4.651 6.126 0.000) 7.691 9.981 ( 4.317 -6.006 0.000) 7.396 9.981 ( 4.317 6.006 0.000) 7.396 10.058 ( -2.921 -7.363 0.000) 7.921 10.058 ( -2.921 7.363 0.000) 7.921 11.833 ( 2.351 -13.674 0.000) 13.875 11.833 ( 2.351 13.674 0.000) 13.875 11.911 ( -5.779 -10.325 0.000) 11.832 11.911 ( -5.779 10.325 0.000) 11.832 13.462 ( 0.633 -8.612 0.000) 8.635 13.462 ( 0.633 8.612 0.000) 8.635 13.477 ( -0.924 -9.466 0.000) 9.511 13.477 ( -0.924 9.466 0.000) 9.511 15.589 ( 1.728 -3.626 0.000) 4.017 15.589 ( 1.728 3.626 0.000) 4.017 15.614 ( -0.893 -3.179 0.000) 3.302 15.614 ( -0.893 3.179 0.000) 3.302 29.377 ( 2.261 -3.702 0.000) 4.338 29.377 ( 2.261 3.702 0.000) 4.338 29.421 ( -2.330 -2.665 0.000) 3.540 29.421 ( -2.330 2.665 0.000) 3.540 31.986 ( 0.831 -5.324 0.000) 5.389 31.986 ( 0.831 5.324 0.000) 5.389 32.001 ( -0.762 -5.821 0.000) 5.871 32.001 ( -0.762 5.821 0.000) 5.871 83.549 ( 3.602 -0.762 0.000) 3.682 83.549 ( 3.602 0.762 0.000) 3.682 83.619 ( -3.580 -0.806 0.000) 3.669 83.619 ( -3.580 0.806 0.000) 3.669 ======================= Grid point 75 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 0.000 22.921) 22.921 0.485 ( 0.000 0.000 23.784) 23.784 0.938 ( 0.000 0.000 44.885) 44.885 1.816 ( 0.000 0.000 4.908) 4.908 2.047 ( 0.000 0.000 3.522) 3.522 2.427 ( 0.000 0.000 -1.372) 1.372 2.900 ( 0.000 0.000 -1.373) 1.373 3.168 ( 0.000 0.000 -9.734) 9.734 3.644 ( 0.000 0.000 1.670) 1.670 3.930 ( 0.000 0.000 15.586) 15.586 4.079 ( 0.000 0.000 -0.947) 0.947 4.824 ( 0.000 0.000 3.694) 3.694 6.955 ( 0.000 0.000 8.122) 8.122 7.126 ( 0.000 0.000 1.117) 1.117 7.493 ( 0.000 0.000 -0.522) 0.522 7.895 ( 0.000 0.000 -1.568) 1.568 8.168 ( 0.000 0.000 0.489) 0.489 8.409 ( 0.000 0.000 -2.592) 2.592 8.417 ( 0.000 0.000 -0.857) 0.857 8.862 ( 0.000 0.000 -3.986) 3.986 9.556 ( 0.000 0.000 10.248) 10.248 10.483 ( 0.000 0.000 -4.984) 4.984 10.534 ( 0.000 0.000 -6.165) 6.165 11.705 ( 0.000 0.000 6.668) 6.668 11.710 ( 0.000 0.000 0.973) 0.973 11.785 ( 0.000 0.000 1.139) 1.139 11.920 ( 0.000 0.000 -0.090) 0.090 11.955 ( 0.000 0.000 -1.617) 1.617 12.054 ( 0.000 0.000 -0.211) 0.211 12.782 ( 0.000 0.000 0.363) 0.363 13.276 ( 0.000 0.000 -33.213) 33.213 14.100 ( 0.000 0.000 -3.781) 3.781 14.994 ( 0.000 0.000 36.773) 36.773 17.032 ( 0.000 0.000 -7.485) 7.485 17.230 ( 0.000 0.000 2.130) 2.130 17.514 ( 0.000 0.000 -0.979) 0.979 27.903 ( 0.000 0.000 2.645) 2.645 28.001 ( 0.000 0.000 1.595) 1.595 28.672 ( 0.000 0.000 -0.966) 0.966 28.734 ( 0.000 0.000 -2.105) 2.105 31.446 ( 0.000 0.000 2.689) 2.689 31.905 ( 0.000 0.000 -0.029) 0.029 32.674 ( 0.000 0.000 -0.007) 0.007 32.791 ( 0.000 0.000 -1.256) 1.256 83.562 ( 0.000 0.000 -3.684) 3.684 83.620 ( 0.000 0.000 8.076) 8.076 84.393 ( 0.000 0.000 25.156) 25.156 88.148 ( 0.000 0.000 -4.889) 4.889 ======================= Grid point 76 (26/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 15.854 0.000 14.739) 21.647 0.711 ( 19.937 0.000 15.515) 25.263 1.184 ( 21.658 0.000 32.425) 38.993 1.718 ( -7.468 0.000 6.379) 9.822 1.870 ( -15.496 0.000 3.623) 15.914 2.539 ( 8.671 0.000 -1.007) 8.729 2.878 ( -2.445 0.000 -1.335) 2.786 3.055 ( -20.051 0.000 -3.054) 20.282 3.467 ( 0.099 0.000 2.753) 2.755 3.961 ( -4.806 0.000 0.589) 4.842 4.290 ( 17.117 0.000 5.806) 18.075 4.799 ( -2.453 0.000 3.719) 4.455 7.006 ( 5.387 0.000 7.775) 9.459 7.154 ( 2.892 0.000 1.023) 3.068 7.446 ( -4.652 0.000 -0.235) 4.658 7.587 ( -16.186 0.000 9.172) 18.604 8.204 ( 3.457 0.000 0.231) 3.465 8.400 ( -1.749 0.000 -0.789) 1.919 8.430 ( 4.968 0.000 -3.608) 6.140 8.831 ( -4.217 0.000 4.850) 6.427 10.220 ( 19.973 0.000 -24.582) 31.673 10.472 ( -0.995 0.000 -7.014) 7.085 10.779 ( 25.322 0.000 -9.982) 27.219 11.715 ( 0.528 0.000 0.981) 1.114 11.774 ( -1.072 0.000 1.091) 1.529 11.795 ( -13.414 0.000 2.011) 13.564 11.937 ( 1.657 0.000 -0.069) 1.658 12.027 ( 28.616 0.000 -26.959) 39.315 12.043 ( -1.100 0.000 -0.192) 1.117 12.902 ( 6.390 0.000 -12.265) 13.830 13.278 ( 4.163 0.000 -25.040) 25.383 14.028 ( -7.499 0.000 -4.788) 8.897 15.065 ( 7.442 0.000 39.131) 39.832 16.408 ( -50.714 0.000 50.744) 71.741 17.148 ( 3.207 0.000 -3.168) 4.508 17.456 ( -3.955 0.000 -4.922) 6.314 27.912 ( 0.902 0.000 2.559) 2.713 27.991 ( -1.034 0.000 1.714) 2.002 28.679 ( 0.683 0.000 -1.093) 1.289 28.729 ( -0.551 0.000 -2.011) 2.085 31.802 ( 19.062 0.000 -17.710) 26.019 31.926 ( 2.112 0.000 -1.229) 2.443 32.677 ( 0.826 0.000 -0.419) 0.926 32.783 ( -0.938 0.000 -1.431) 1.711 83.509 ( -1.472 0.000 0.992) 1.774 83.650 ( -0.480 0.000 -2.224) 2.275 84.544 ( 14.711 0.000 27.866) 31.511 86.631 ( -90.677 0.000 77.549) 119.315 ======================= Grid point 77 (27/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 18.252 0.000 8.349) 20.071 1.122 ( 22.558 0.000 8.644) 24.157 1.305 ( -12.744 0.000 7.215) 14.645 1.529 ( -20.383 0.000 5.231) 21.044 1.902 ( 29.632 0.000 18.548) 34.958 2.516 ( -33.038 0.000 10.485) 34.662 2.693 ( 7.349 0.000 -1.065) 7.426 2.809 ( -4.927 0.000 -1.223) 5.077 3.612 ( 11.033 0.000 -2.839) 11.393 3.816 ( -9.928 0.000 -2.152) 10.158 4.563 ( 11.520 0.000 5.024) 12.568 4.724 ( -5.942 0.000 4.081) 7.208 7.146 ( 9.228 0.000 6.944) 11.549 7.231 ( 5.191 0.000 0.744) 5.244 7.340 ( -6.146 0.000 0.296) 6.153 7.341 ( -11.392 0.000 6.751) 13.242 8.280 ( 4.240 0.000 -0.224) 4.246 8.352 ( -3.316 0.000 -0.581) 3.367 8.561 ( 8.286 0.000 -1.197) 8.372 8.716 ( -7.650 0.000 2.790) 8.143 10.380 ( 4.159 0.000 -13.684) 14.302 10.440 ( -2.458 0.000 -9.860) 10.161 11.181 ( 17.816 0.000 1.534) 17.882 11.500 ( -16.734 0.000 4.537) 17.338 11.730 ( 0.976 0.000 1.004) 1.400 11.751 ( -1.242 0.000 1.037) 1.618 11.975 ( 2.182 0.000 -0.086) 2.184 12.014 ( -1.908 0.000 -0.142) 1.913 12.524 ( 21.267 0.000 -42.829) 47.819 12.831 ( -11.749 0.000 -35.574) 37.464 13.525 ( 17.803 0.000 -10.529) 20.684 13.828 ( -13.694 0.000 -7.425) 15.577 15.275 ( 15.371 0.000 46.329) 48.813 15.672 ( -28.384 0.000 56.337) 63.083 17.244 ( 6.207 0.000 -4.888) 7.901 17.362 ( -5.965 0.000 -5.414) 8.056 27.935 ( 1.514 0.000 2.323) 2.773 27.965 ( -1.595 0.000 2.003) 2.560 28.696 ( 1.027 0.000 -1.404) 1.740 28.715 ( -0.946 0.000 -1.752) 1.991 31.967 ( 2.663 0.000 -4.391) 5.135 31.984 ( 1.887 0.000 -10.064) 10.240 32.711 ( 2.431 0.000 -1.768) 3.006 32.755 ( -2.051 0.000 -1.819) 2.741 83.528 ( 3.061 0.000 -2.284) 3.819 83.600 ( -3.990 0.000 -3.996) 5.647 84.901 ( 23.316 0.000 38.207) 44.759 85.469 ( -40.419 0.000 59.801) 72.179 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 20.789 13.676) 24.884 0.790 ( 0.000 16.816 21.522) 27.313 1.406 ( 0.000 41.757 24.793) 48.563 1.868 ( 0.000 5.390 3.822) 6.607 2.182 ( 0.000 10.911 5.174) 12.076 2.572 ( 0.000 11.995 -1.795) 12.128 3.064 ( 0.000 12.169 -2.375) 12.398 3.258 ( 0.000 11.953 -7.120) 13.913 3.729 ( 0.000 8.765 0.758) 8.798 3.974 ( 0.000 4.807 13.766) 14.581 4.046 ( 0.000 -3.062 -0.544) 3.110 4.800 ( 0.000 -2.167 3.902) 4.464 6.979 ( 0.000 2.961 6.241) 6.908 7.347 ( 0.000 -1.027 1.746) 2.025 7.450 ( 0.000 -3.729 -0.475) 3.759 7.890 ( 0.000 -0.802 -0.420) 0.905 8.289 ( 0.000 18.591 -8.094) 20.276 8.459 ( 0.000 5.390 -2.448) 5.920 8.518 ( 0.000 8.318 -0.348) 8.325 9.234 ( 0.000 16.188 -20.312) 25.974 9.557 ( 0.000 0.544 9.018) 9.034 10.413 ( 0.000 -6.438 -7.591) 9.953 10.479 ( 0.000 -0.370 -5.420) 5.432 11.303 ( 0.000 -10.552 20.183) 22.774 11.533 ( 0.000 -28.433 0.291) 28.434 11.781 ( 0.000 6.769 0.771) 6.813 11.861 ( 0.000 7.335 0.689) 7.367 11.966 ( 0.000 -0.061 0.471) 0.475 12.762 ( 0.000 -2.002 0.872) 2.183 12.896 ( 0.000 39.150 -41.917) 57.357 13.646 ( 0.000 22.310 -36.511) 42.787 14.018 ( 0.000 -7.857 -3.564) 8.628 15.021 ( 0.000 2.682 35.981) 36.081 16.921 ( 0.000 -35.090 31.603) 47.223 16.952 ( 0.000 -7.646 -7.002) 10.368 17.148 ( 0.000 -7.849 2.104) 8.127 27.976 ( 0.000 6.942 2.459) 7.365 28.391 ( 0.000 20.764 -16.406) 26.463 28.719 ( 0.000 4.461 -0.916) 4.554 28.784 ( 0.000 4.764 -1.964) 5.153 31.459 ( 0.000 1.254 2.536) 2.829 31.885 ( 0.000 -1.757 0.160) 1.764 32.654 ( 0.000 -1.969 -0.031) 1.969 32.752 ( 0.000 -3.728 -1.106) 3.889 83.558 ( 0.000 -0.399 -3.456) 3.479 83.567 ( 0.000 -4.314 7.400) 8.565 84.345 ( 0.000 -4.509 23.892) 24.314 86.041 ( 0.000 -101.659 97.803) 141.067 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.20 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 8.749 15.879 11.208) 21.314 0.927 ( 13.460 14.032 18.624) 26.924 1.572 ( 8.494 29.518 14.919) 34.147 1.792 ( -0.079 12.295 8.886) 15.171 1.998 ( -15.720 10.072 6.088) 19.637 2.691 ( 8.961 12.820 -1.420) 15.706 3.053 ( -1.858 14.172 -2.246) 14.469 3.181 ( -14.765 14.050 -3.705) 20.715 3.517 ( -3.850 6.134 5.201) 8.916 3.961 ( -5.519 0.055 0.316) 5.528 4.282 ( 16.990 0.403 5.662) 17.913 4.778 ( -2.352 -1.940 3.909) 4.957 7.010 ( 3.412 1.820 6.088) 7.212 7.324 ( -2.184 -1.175 3.118) 3.984 7.430 ( -2.017 -1.580 -0.135) 2.566 7.588 ( -18.976 8.083 4.562) 21.124 8.292 ( 1.632 6.287 -4.608) 7.964 8.458 ( -2.677 8.349 1.179) 8.846 8.556 ( 6.012 10.305 -1.986) 12.095 8.999 ( -8.871 13.090 1.939) 15.931 10.224 ( 26.829 -2.405 -24.410) 36.352 10.451 ( 1.645 -5.027 -7.451) 9.137 10.542 ( 16.351 -13.670 -4.905) 21.869 11.358 ( 5.326 -14.165 16.520) 22.404 11.504 ( -3.440 -28.994 -0.973) 29.213 11.789 ( 0.621 6.815 0.754) 6.885 11.805 ( -10.346 -0.462 1.793) 10.510 11.870 ( -2.949 6.864 2.459) 7.864 12.887 ( 9.570 9.867 -12.627) 18.665 13.000 ( 10.681 24.719 -31.832) 41.694 13.605 ( -3.418 21.048 -34.351) 40.431 13.955 ( -6.503 -6.804 -5.393) 10.847 15.093 ( 7.630 2.823 37.836) 38.701 16.316 ( -38.614 -7.807 44.203) 59.211 17.044 ( 4.062 -9.744 -3.944) 11.269 17.266 ( 2.216 -14.320 -1.935) 14.619 27.990 ( 1.488 7.387 2.323) 7.886 28.254 ( -9.679 18.313 -5.635) 21.466 28.730 ( 0.842 4.832 -1.265) 5.065 28.778 ( -0.575 4.674 -1.822) 5.049 31.703 ( 16.671 -6.490 -7.649) 19.456 31.900 ( 1.425 -2.202 -0.585) 2.687 32.655 ( 0.474 -2.094 -0.224) 2.158 32.744 ( -0.933 -3.723 -1.194) 4.019 83.500 ( -1.048 -0.878 1.220) 1.832 83.621 ( 0.478 -2.405 -2.776) 3.704 84.464 ( 11.769 -7.304 26.775) 30.146 85.656 ( -30.831 -61.680 82.759) 107.722 ======================= Grid point 82 (30/144) ======================= q-point: ( 0.40 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 15.520 8.208 5.395) 18.367 1.219 ( 12.101 8.171 10.820) 18.173 1.431 ( -8.944 9.811 5.973) 14.559 1.657 ( -19.133 10.086 9.520) 23.631 2.158 ( 27.736 25.069 13.933) 39.899 2.686 ( -24.899 16.345 6.762) 30.543 2.888 ( 4.066 17.602 -0.762) 18.081 2.995 ( -4.995 16.520 -1.681) 17.340 3.621 ( 9.999 1.870 -0.882) 10.211 3.814 ( -9.678 0.287 -1.160) 9.751 4.549 ( 11.185 -0.824 4.513) 12.089 4.705 ( -5.770 -1.579 4.040) 7.218 7.106 ( 6.670 -1.404 5.857) 8.987 7.246 ( -7.261 -5.096 6.384) 10.929 7.376 ( -2.246 8.840 1.441) 9.234 7.391 ( -2.756 2.492 1.494) 4.005 8.341 ( 3.168 3.908 -1.057) 5.141 8.402 ( -3.198 5.126 1.109) 6.142 8.693 ( 8.157 12.278 -1.178) 14.787 8.848 ( -8.147 12.203 1.231) 14.724 10.396 ( 3.262 1.411 -13.394) 13.858 10.442 ( -1.662 -0.197 -9.926) 10.066 11.014 ( 23.002 -21.341 -8.716) 32.565 11.358 ( -13.396 -24.151 -5.669) 28.194 11.474 ( 6.172 -17.827 10.728) 21.702 11.599 ( -8.373 -10.637 7.077) 15.275 11.809 ( 1.361 6.961 1.155) 7.187 11.837 ( -1.566 7.296 1.428) 7.597 13.059 ( 8.485 21.284 -27.334) 35.667 13.154 ( 1.105 16.720 -25.912) 30.858 13.606 ( 6.179 9.233 -22.910) 25.461 13.789 ( -10.637 -2.880 -10.966) 15.546 15.308 ( 15.604 3.202 43.058) 45.910 15.696 ( -26.493 2.079 48.802) 55.569 17.138 ( 5.603 -9.916 -4.510) 12.250 17.236 ( -4.215 -11.418 -4.243) 12.890 28.033 ( 3.110 8.963 1.819) 9.660 28.112 ( -5.567 12.483 0.305) 13.671 28.747 ( 0.961 4.866 -1.426) 5.161 28.764 ( -0.866 4.727 -1.651) 5.081 31.903 ( 4.733 -6.354 -7.040) 10.599 31.927 ( 0.915 -3.711 -3.000) 4.859 32.679 ( 1.918 -2.894 -1.049) 3.626 32.717 ( -1.885 -3.528 -1.358) 4.224 83.521 ( 2.904 -0.616 -2.264) 3.734 83.587 ( -3.398 -1.230 -4.037) 5.419 84.745 ( 17.716 -13.651 35.983) 42.367 85.130 ( -23.944 -27.049 54.843) 65.671 ======================= Grid point 85 (31/144) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 19.689 14.113) 24.225 1.208 ( 0.000 24.030 6.608) 24.922 1.991 ( 0.000 9.194 1.257) 9.279 2.370 ( 0.000 39.193 10.239) 40.509 2.420 ( 0.000 18.246 10.121) 20.866 2.790 ( 0.000 7.329 -5.319) 9.056 3.275 ( 0.000 9.256 3.083) 9.756 3.711 ( 0.000 28.115 -4.670) 28.500 3.967 ( 0.000 -3.728 -0.616) 3.779 4.017 ( 0.000 19.265 -1.746) 19.344 4.171 ( 0.000 15.645 8.617) 17.861 4.738 ( 0.000 -3.692 4.915) 6.147 7.057 ( 0.000 2.739 2.460) 3.682 7.218 ( 0.000 -5.022 9.847) 11.053 7.365 ( 0.000 -4.240 -0.242) 4.247 7.851 ( 0.000 -3.181 1.612) 3.566 8.608 ( 0.000 8.732 -2.489) 9.080 8.711 ( 0.000 9.612 1.565) 9.738 8.725 ( 0.000 20.262 -10.429) 22.788 9.317 ( 0.000 -4.332 -5.703) 7.162 9.607 ( 0.000 4.921 5.232) 7.183 10.385 ( 0.000 2.509 -15.428) 15.631 10.463 ( 0.000 -1.426 -5.441) 5.625 10.893 ( 0.000 -28.472 -1.733) 28.525 11.249 ( 0.000 -1.257 20.360) 20.399 11.965 ( 0.000 0.059 0.996) 0.997 11.975 ( 0.000 11.955 0.300) 11.959 12.070 ( 0.000 12.593 -0.660) 12.610 12.704 ( 0.000 -3.558 2.227) 4.198 13.482 ( 0.000 19.722 -39.760) 44.382 13.794 ( 0.000 -13.781 -2.993) 14.103 13.921 ( 0.000 5.134 -28.210) 28.673 15.106 ( 0.000 5.650 31.216) 31.723 16.384 ( 0.000 -19.007 26.436) 32.560 16.733 ( 0.000 -13.450 -5.667) 14.596 16.925 ( 0.000 -13.558 1.871) 13.687 28.172 ( 0.000 11.770 2.025) 11.943 28.701 ( 0.000 11.606 -10.205) 15.454 28.846 ( 0.000 7.783 -0.763) 7.820 28.917 ( 0.000 7.867 -1.281) 7.970 31.497 ( 0.000 2.525 2.107) 3.288 31.843 ( 0.000 -2.173 0.318) 2.196 32.596 ( 0.000 -3.657 -0.091) 3.658 32.647 ( 0.000 -6.296 -0.794) 6.346 83.484 ( 0.000 -3.180 3.814) 4.966 83.547 ( 0.000 -0.698 -2.863) 2.947 84.223 ( 0.000 -6.984 20.521) 21.677 84.769 ( 0.000 -35.960 60.771) 70.613 ======================= Grid point 86 (32/144) ======================= q-point: ( 0.20 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.503 20.416 7.910) 22.173 1.271 ( 8.169 19.756 11.126) 24.100 1.872 ( -11.507 10.011 0.794) 15.273 2.204 ( -16.691 9.282 8.939) 21.086 2.512 ( 13.145 44.348 11.288) 47.612 2.938 ( 10.730 8.993 -4.909) 14.835 3.316 ( 3.170 10.725 1.663) 11.307 3.645 ( -11.857 28.516 -2.452) 30.980 3.759 ( -7.097 14.687 1.584) 16.388 3.981 ( -4.454 4.884 2.918) 7.225 4.369 ( 12.512 9.757 2.444) 16.054 4.727 ( -1.359 -2.668 4.418) 5.337 7.063 ( 0.779 1.777 2.710) 3.333 7.200 ( -1.876 -5.007 8.964) 10.437 7.381 ( 1.709 -2.414 0.535) 3.006 7.738 ( -10.909 3.337 1.910) 11.567 8.431 ( -6.408 7.211 -3.850) 10.386 8.640 ( -5.562 8.335 2.597) 10.352 8.868 ( 7.919 18.343 -3.869) 20.350 9.260 ( -4.433 11.319 -0.620) 12.172 9.954 ( 26.204 -16.385 -3.837) 31.142 10.398 ( 1.193 2.175 -14.383) 14.595 10.477 ( 1.711 -0.960 -7.323) 7.581 10.867 ( -3.168 -28.798 -2.308) 29.064 11.265 ( 2.154 -1.137 18.367) 18.528 11.808 ( -13.234 0.524 2.183) 13.423 11.985 ( 0.978 12.099 0.451) 12.147 12.073 ( -0.788 12.486 0.860) 12.541 12.850 ( 13.307 -4.650 0.215) 14.098 13.489 ( -0.695 14.206 -32.221) 35.220 13.747 ( -3.292 -8.303 -10.209) 13.564 13.899 ( -2.457 4.552 -27.664) 28.143 15.181 ( 7.883 5.664 31.661) 33.116 16.142 ( -20.727 -8.587 28.983) 36.652 16.784 ( 4.055 -14.985 -4.422) 16.142 16.955 ( 1.308 -16.082 -0.058) 16.135 28.195 ( 2.496 12.155 1.820) 12.541 28.581 ( -10.077 13.657 -5.634) 17.883 28.864 ( 1.136 8.026 -1.436) 8.232 28.910 ( -0.619 7.892 -1.217) 8.009 31.616 ( 10.059 -1.795 -0.738) 10.244 31.848 ( 0.358 -2.629 -0.126) 2.656 32.595 ( 0.011 -3.804 -0.143) 3.807 32.641 ( -0.712 -6.129 -0.784) 6.220 83.476 ( 0.340 -1.288 0.803) 1.555 83.573 ( 0.956 -2.007 -3.456) 4.109 84.281 ( 5.987 -9.764 23.391) 26.045 84.719 ( -5.107 -31.593 53.956) 62.734 ======================= Grid point 87 (33/144) ======================= q-point: ( 0.40 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 9.385 16.650 2.524) 19.278 1.453 ( 4.672 14.234 6.159) 16.197 1.659 ( -3.991 12.727 7.158) 15.138 1.873 ( -17.522 10.896 12.346) 24.045 2.825 ( 18.603 36.707 7.518) 41.833 3.076 ( -0.842 16.539 -1.944) 16.674 3.328 ( -3.372 18.699 -1.843) 19.089 3.362 ( -9.434 21.573 1.492) 23.593 3.759 ( 4.199 12.667 2.067) 13.504 3.871 ( -6.732 7.413 3.057) 10.470 4.566 ( 8.254 3.907 2.137) 9.378 4.679 ( -4.012 -0.058 3.240) 5.157 7.092 ( 2.441 -0.578 4.043) 4.758 7.149 ( -3.305 -3.488 6.646) 8.201 7.430 ( 3.795 1.735 1.658) 4.490 7.540 ( -8.396 6.070 2.076) 10.566 8.423 ( 3.831 4.561 -0.066) 5.956 8.525 ( -6.288 6.461 2.109) 9.259 9.015 ( 7.826 17.718 -1.985) 19.471 9.155 ( -6.782 16.289 -0.671) 17.658 10.340 ( 11.043 -16.352 -6.020) 20.630 10.414 ( -0.157 -1.203 -11.033) 11.100 10.562 ( 9.278 -9.862 -9.460) 16.517 10.759 ( -8.728 -26.631 -4.319) 28.356 11.350 ( 7.399 -0.666 12.846) 14.840 11.548 ( -13.236 0.279 6.559) 14.775 12.011 ( 1.693 12.369 0.964) 12.521 12.045 ( -1.864 12.599 1.261) 12.798 13.128 ( 15.167 -5.246 -3.397) 16.404 13.382 ( -10.852 -1.154 -11.112) 15.575 13.748 ( 3.453 4.449 -27.271) 27.846 13.831 ( -4.516 5.437 -28.855) 29.708 15.397 ( 15.050 5.077 32.536) 36.206 15.737 ( -20.771 1.412 32.312) 38.439 16.868 ( 4.587 -15.830 -3.618) 16.873 16.941 ( -2.736 -16.646 -2.399) 17.039 28.267 ( 5.309 13.237 1.034) 14.300 28.397 ( -8.641 14.421 -1.029) 16.843 28.883 ( 0.843 8.081 -1.353) 8.237 28.897 ( -0.720 7.957 -1.281) 8.092 31.780 ( 6.157 -4.757 -2.395) 8.141 31.844 ( -1.235 -3.875 -1.335) 4.281 32.602 ( 0.815 -4.533 -0.408) 4.623 32.622 ( -1.189 -5.530 -0.697) 5.699 83.506 ( 2.638 -0.780 -2.278) 3.572 83.558 ( -2.305 -1.419 -3.924) 4.767 84.427 ( 8.902 -15.840 29.983) 35.059 84.591 ( -8.134 -23.284 40.735) 47.619 ======================= Grid point 90 (34/144) ======================= q-point: ( 0.00 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 20.246 5.903) 21.089 1.694 ( 0.000 23.362 3.343) 23.600 2.188 ( 0.000 10.415 -0.632) 10.434 2.572 ( 0.000 6.436 8.007) 10.273 2.878 ( 0.000 2.264 -8.152) 8.461 3.313 ( 0.000 41.982 7.565) 42.658 3.408 ( 0.000 3.391 10.671) 11.197 3.841 ( 0.000 -5.706 -1.794) 5.981 4.357 ( 0.000 30.911 -3.646) 31.126 4.437 ( 0.000 15.815 -4.964) 16.576 4.612 ( 0.000 25.904 2.278) 26.004 4.704 ( 0.000 5.913 7.272) 9.373 6.986 ( 0.000 -5.780 5.061) 7.683 7.286 ( 0.000 -3.409 -0.009) 3.409 7.311 ( 0.000 10.627 3.135) 11.079 7.763 ( 0.000 -5.042 3.317) 6.035 8.801 ( 0.000 9.966 -2.566) 10.291 8.891 ( 0.000 8.154 1.936) 8.381 8.962 ( 0.000 -1.875 -9.962) 10.137 9.291 ( 0.000 8.132 1.986) 8.371 9.748 ( 0.000 7.893 1.256) 7.992 10.340 ( 0.000 -21.069 -2.865) 21.263 10.412 ( 0.000 -3.649 -4.205) 5.567 10.461 ( 0.000 -0.330 -11.518) 11.522 11.260 ( 0.000 1.890 17.210) 17.313 11.971 ( 0.000 0.586 1.938) 2.025 12.255 ( 0.000 14.879 0.331) 14.883 12.342 ( 0.000 12.699 -2.641) 12.970 12.631 ( 0.000 -2.616 4.061) 4.831 13.476 ( 0.000 -16.815 -2.242) 16.964 13.737 ( 0.000 6.050 -27.847) 28.497 13.926 ( 0.000 -2.889 -19.304) 19.519 15.237 ( 0.000 6.584 21.182) 22.181 16.079 ( 0.000 -11.981 15.171) 19.331 16.427 ( 0.000 -15.928 -4.034) 16.431 16.615 ( 0.000 -16.361 1.498) 16.430 28.438 ( 0.000 13.900 1.554) 13.987 28.915 ( 0.000 9.937 -5.518) 11.366 29.023 ( 0.000 9.208 -0.519) 9.222 29.088 ( 0.000 8.503 -0.173) 8.504 31.562 ( 0.000 3.780 1.492) 4.064 31.806 ( 0.000 -1.293 0.347) 1.338 32.505 ( 0.000 -7.425 -0.554) 7.445 32.507 ( 0.000 -4.932 -0.159) 4.935 83.443 ( 0.000 -0.906 0.434) 1.005 83.531 ( 0.000 -0.850 -2.117) 2.281 84.076 ( 0.000 -7.170 16.014) 17.546 84.255 ( 0.000 -17.923 33.300) 37.817 ======================= Grid point 91 (35/144) ======================= q-point: ( 0.20 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 3.696 19.751 4.359) 20.561 1.703 ( 1.995 21.787 4.374) 22.311 2.096 ( -8.838 12.045 -0.896) 14.966 2.374 ( -14.745 7.778 8.888) 18.893 3.044 ( 11.866 2.506 -7.557) 14.290 3.374 ( 5.101 33.124 5.714) 33.998 3.477 ( 6.526 9.330 8.785) 14.381 3.819 ( -1.644 -3.377 0.582) 3.801 4.269 ( -8.169 27.674 -1.155) 28.878 4.319 ( -9.292 21.161 0.194) 23.112 4.681 ( 5.132 16.244 0.338) 17.039 4.754 ( 3.436 12.933 2.813) 13.674 7.001 ( 1.685 -4.921 4.745) 7.041 7.236 ( -4.833 4.880 1.843) 7.111 7.345 ( 3.948 -0.406 1.979) 4.435 7.750 ( -2.980 -0.776 2.727) 4.113 8.569 ( -9.957 5.815 -2.338) 11.765 8.808 ( -5.971 8.606 1.742) 10.618 9.205 ( 10.265 11.566 -6.577) 16.805 9.403 ( 9.019 3.199 -0.035) 9.570 9.777 ( 4.692 0.694 1.047) 4.857 10.301 ( -4.233 -19.916 -2.632) 20.531 10.434 ( 2.089 -4.448 -4.859) 6.911 10.480 ( 1.684 -0.438 -11.358) 11.490 11.278 ( 2.283 1.954 15.470) 15.760 11.825 ( -12.807 1.097 3.093) 13.221 12.268 ( 1.206 15.190 0.100) 15.238 12.352 ( -0.116 13.961 -0.747) 13.981 12.738 ( 10.341 -5.744 2.245) 12.040 13.398 ( -7.742 -14.913 -2.402) 16.973 13.766 ( 2.523 3.807 -26.305) 26.698 13.910 ( -1.651 -2.492 -19.871) 20.095 15.306 ( 7.196 6.033 20.685) 22.717 15.975 ( -10.138 -7.786 16.061) 20.527 16.457 ( 2.905 -16.576 -3.475) 17.184 16.612 ( -0.605 -17.278 0.544) 17.297 28.466 ( 2.986 13.985 1.345) 14.364 28.833 ( -7.337 11.465 -3.403) 14.030 29.042 ( 1.211 9.038 -1.148) 9.190 29.083 ( -0.475 8.668 -0.333) 8.688 31.619 ( 5.312 1.737 0.634) 5.625 31.804 ( -0.338 -1.489 0.140) 1.533 32.502 ( -0.316 -6.230 -0.432) 6.253 32.505 ( -0.269 -6.012 -0.250) 6.024 83.456 ( 1.413 -0.485 -0.577) 1.601 83.541 ( 0.587 -1.176 -2.924) 3.206 84.089 ( 1.598 -8.763 18.359) 20.405 84.243 ( -1.392 -17.252 30.979) 35.486 ======================= Grid point 92 (36/144) ======================= q-point: ( 0.40 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.961 18.838 0.336) 19.483 1.772 ( 0.860 16.598 2.104) 16.753 1.949 ( -1.260 15.500 5.469) 16.485 2.107 ( -13.113 12.095 10.379) 20.639 3.254 ( 10.116 2.817 -6.787) 12.504 3.398 ( -4.138 8.594 -2.509) 9.862 3.645 ( 10.828 24.052 6.610) 27.193 3.796 ( -2.863 8.933 6.608) 11.475 4.113 ( -4.814 26.794 1.531) 27.266 4.159 ( -7.231 17.110 4.674) 19.155 4.764 ( 3.247 14.597 -0.832) 14.976 4.792 ( 0.330 14.968 -0.228) 14.973 7.051 ( 3.632 -2.536 4.024) 5.984 7.136 ( -5.297 1.108 3.111) 6.243 7.457 ( 7.797 0.768 1.816) 8.042 7.624 ( -9.276 2.644 1.944) 9.840 8.534 ( 4.726 6.338 0.125) 7.907 8.670 ( -8.271 7.912 1.222) 11.511 9.358 ( 7.002 14.717 -3.201) 16.609 9.459 ( -2.846 12.379 -1.879) 12.840 9.961 ( 12.747 -15.160 -0.894) 19.827 10.175 ( -9.278 -18.994 -2.033) 21.237 10.480 ( 2.351 -3.426 -6.794) 7.964 10.503 ( 0.149 -1.601 -9.599) 9.733 11.367 ( 7.771 1.977 10.942) 13.566 11.569 ( -13.174 1.651 6.192) 14.649 12.297 ( 1.806 15.195 0.381) 15.306 12.332 ( -1.734 14.854 0.404) 14.961 12.968 ( 13.245 -9.521 0.159) 16.313 13.209 ( -11.932 -12.442 -1.420) 17.297 13.818 ( 2.839 0.937 -23.880) 24.067 13.869 ( -2.560 -1.223 -21.509) 21.696 15.493 ( 12.228 3.846 19.474) 23.314 15.742 ( -13.683 -0.915 17.883) 22.536 16.522 ( 3.677 -17.462 -2.483) 18.017 16.583 ( -2.565 -17.918 -1.124) 18.136 28.549 ( 5.880 14.034 0.609) 15.228 28.682 ( -8.051 13.385 -0.945) 15.648 29.060 ( 0.773 8.957 -1.011) 9.047 29.073 ( -0.591 8.854 -0.674) 8.899 31.721 ( 4.790 -0.998 -0.346) 4.905 31.785 ( -1.979 -1.760 -0.303) 2.665 32.497 ( -0.101 -5.864 -0.331) 5.874 32.499 ( -0.270 -6.205 -0.306) 6.218 83.494 ( 2.416 -0.331 -2.302) 3.354 83.534 ( -1.479 -0.841 -3.434) 3.833 84.138 ( 3.372 -12.298 22.372) 25.751 84.201 ( -3.020 -15.372 26.462) 30.751 ======================= Grid point 95 (37/144) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 17.203 0.593) 17.213 2.153 ( 0.000 21.614 1.763) 21.685 2.414 ( 0.000 11.511 -0.599) 11.526 2.693 ( 0.000 6.016 5.712) 8.296 2.905 ( 0.000 0.570 -8.495) 8.514 3.426 ( 0.000 -1.291 11.665) 11.736 3.708 ( 0.000 -7.284 -2.453) 7.686 3.956 ( 0.000 14.753 2.263) 14.926 4.597 ( 0.000 13.420 2.704) 13.690 4.950 ( 0.000 26.319 -3.107) 26.502 5.098 ( 0.000 23.794 0.254) 23.795 5.148 ( 0.000 25.127 -0.887) 25.142 6.901 ( 0.000 -2.111 3.766) 4.317 7.227 ( 0.000 -2.432 0.260) 2.445 7.568 ( 0.000 13.662 -1.124) 13.708 7.666 ( 0.000 -3.908 3.900) 5.521 8.810 ( 0.000 -8.556 -3.534) 9.257 9.000 ( 0.000 8.976 -3.550) 9.652 9.060 ( 0.000 8.895 0.039) 8.895 9.521 ( 0.000 10.263 -0.896) 10.302 9.886 ( 0.000 4.890 -0.596) 4.926 9.946 ( 0.000 -15.120 0.447) 15.127 10.312 ( 0.000 -6.172 -2.383) 6.616 10.453 ( 0.000 -2.315 -9.898) 10.165 11.320 ( 0.000 3.995 13.288) 13.876 11.991 ( 0.000 1.341 3.297) 3.559 12.417 ( 0.000 -2.392 2.992) 3.831 12.598 ( 0.000 13.994 -2.365) 14.192 12.693 ( 0.000 7.859 2.364) 8.207 13.147 ( 0.000 -13.180 -1.736) 13.294 13.750 ( 0.000 -3.795 -15.101) 15.571 13.863 ( 0.000 -2.826 -14.524) 14.796 15.355 ( 0.000 4.727 11.364) 12.308 15.872 ( 0.000 -8.620 8.185) 11.886 16.108 ( 0.000 -14.841 -2.681) 15.081 16.279 ( 0.000 -16.141 1.256) 16.190 28.723 ( 0.000 13.759 1.167) 13.809 29.110 ( 0.000 9.048 -3.195) 9.595 29.208 ( 0.000 8.571 -0.231) 8.574 29.250 ( 0.000 7.053 0.735) 7.091 31.650 ( 0.000 4.911 0.826) 4.980 31.795 ( 0.000 0.307 0.177) 0.354 32.352 ( 0.000 -7.482 -0.476) 7.497 32.398 ( 0.000 -5.759 -0.233) 5.764 83.441 ( 0.000 0.538 -0.684) 0.870 83.513 ( 0.000 -0.849 -1.384) 1.624 83.940 ( 0.000 -6.012 11.334) 12.830 83.970 ( 0.000 -10.721 18.147) 21.077 ======================= Grid point 96 (38/144) ======================= q-point: ( 0.20 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 3.075 16.834 0.086) 17.113 2.141 ( -0.836 20.946 2.172) 21.075 2.359 ( -5.396 13.544 -0.902) 14.607 2.533 ( -10.563 7.990 5.788) 14.454 3.065 ( 11.038 0.016 -7.798) 13.514 3.472 ( 2.774 -1.427 8.396) 8.957 3.686 ( -0.369 -6.712 -0.106) 6.723 3.969 ( 0.262 8.668 3.612) 9.394 4.575 ( -1.063 19.659 3.266) 19.957 4.907 ( -6.389 28.105 -3.917) 29.087 5.078 ( 2.159 22.599 1.789) 22.772 5.196 ( 2.003 22.959 -2.341) 23.165 6.930 ( 3.080 -1.697 3.510) 4.969 7.271 ( 3.265 -0.777 -0.536) 3.398 7.400 ( -9.002 3.890 2.469) 10.113 7.759 ( 1.372 2.541 1.191) 3.124 8.652 ( -5.837 2.442 -2.332) 6.743 8.998 ( -5.785 9.874 -0.573) 11.458 9.250 ( 15.978 -1.103 -4.478) 16.631 9.574 ( 5.087 10.216 -0.234) 11.415 9.846 ( -3.533 -0.664 -1.796) 4.019 9.943 ( -1.230 -9.420 1.750) 9.660 10.337 ( 2.633 -5.853 -3.247) 7.193 10.460 ( 0.463 -2.655 -9.090) 9.481 11.339 ( 2.255 3.929 12.156) 12.973 11.854 ( -12.045 1.851 4.227) 12.899 12.493 ( 5.661 -1.116 2.694) 6.368 12.604 ( 0.456 11.999 -1.707) 12.129 12.706 ( 2.091 6.536 1.820) 7.099 13.093 ( -5.500 -12.121 -1.381) 13.382 13.759 ( 0.885 -3.916 -14.906) 15.437 13.849 ( -1.396 -3.010 -14.516) 14.891 15.409 ( 5.544 3.894 10.943) 12.870 15.826 ( -4.724 -6.724 8.407) 11.756 16.129 ( 2.094 -15.169 -2.302) 15.485 16.266 ( -1.342 -16.286 0.783) 16.360 28.750 ( 2.873 13.623 1.007) 13.959 29.054 ( -5.177 10.190 -1.984) 11.600 29.220 ( 0.841 8.043 -0.623) 8.111 29.249 ( -0.147 7.317 0.427) 7.331 31.678 ( 2.622 3.854 0.534) 4.692 31.792 ( -0.429 0.354 0.100) 0.565 32.355 ( 0.278 -7.271 -0.443) 7.290 32.391 ( -0.636 -5.856 -0.234) 5.896 83.457 ( 1.619 0.553 -1.051) 2.008 83.522 ( 0.695 -0.714 -2.088) 2.314 83.928 ( -0.818 -7.195 13.824) 15.606 83.968 ( -0.563 -10.184 16.310) 19.237 ======================= Grid point 97 (39/144) ======================= q-point: ( 0.40 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.991 17.110 -1.073) 17.602 2.126 ( -2.007 18.151 0.871) 18.282 2.275 ( -0.526 15.977 2.751) 16.220 2.361 ( -7.753 12.585 5.986) 15.948 3.262 ( 9.882 -1.210 -6.883) 12.104 3.426 ( -7.000 -1.828 -3.231) 7.923 3.776 ( 8.510 -5.359 8.115) 12.922 3.922 ( -5.734 -1.384 6.810) 9.009 4.608 ( 5.133 28.841 1.955) 29.359 4.749 ( -9.001 30.372 -0.801) 31.688 5.147 ( 3.924 20.954 -1.012) 21.342 5.201 ( -1.475 21.339 -2.398) 21.524 7.018 ( 6.379 -0.368 2.808) 6.980 7.167 ( -9.219 1.914 1.594) 9.549 7.459 ( 10.061 -0.663 1.300) 10.167 7.662 ( -10.092 1.112 0.770) 10.183 8.680 ( 7.338 8.008 -1.450) 10.958 8.850 ( -9.375 9.762 -1.027) 13.574 9.515 ( 11.603 -1.483 -5.258) 12.825 9.651 ( -0.724 7.431 -2.338) 7.824 9.795 ( 1.060 -4.617 0.034) 4.737 9.882 ( -5.113 -4.560 2.613) 7.333 10.401 ( 3.730 -4.864 -4.876) 7.832 10.454 ( -1.531 -3.645 -7.013) 8.051 11.423 ( 7.277 3.490 9.307) 12.319 11.613 ( -12.428 2.663 6.317) 14.193 12.571 ( 2.514 5.911 1.699) 6.645 12.601 ( -0.905 9.013 0.366) 9.066 12.799 ( 7.577 -2.139 0.403) 7.883 12.957 ( -8.470 -8.881 -0.541) 12.284 13.782 ( 1.574 -3.881 -14.600) 15.189 13.816 ( -1.917 -3.468 -14.498) 15.030 15.546 ( 8.448 1.369 10.016) 13.174 15.704 ( -7.928 -2.589 9.083) 12.331 16.178 ( 2.905 -15.827 -1.430) 16.155 16.230 ( -2.466 -16.299 -0.297) 16.487 28.828 ( 5.286 13.091 0.473) 14.125 28.941 ( -6.450 11.913 -0.533) 13.557 29.233 ( 0.633 7.694 -0.492) 7.735 29.243 ( -0.420 7.584 -0.091) 7.596 31.733 ( 2.842 1.935 0.090) 3.440 31.775 ( -1.524 0.730 -0.022) 1.690 32.363 ( 0.608 -6.745 -0.354) 6.782 32.377 ( -0.836 -6.192 -0.267) 6.253 83.495 ( 2.114 0.430 -2.009) 2.948 83.524 ( -0.754 -0.104 -2.770) 2.873 83.925 ( 0.654 -8.816 15.529) 17.869 83.947 ( -1.446 -9.828 15.581) 18.479 ======================= Grid point 100 (40/144) ======================= q-point: ( 0.00 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 13.695 -1.529) 13.780 2.570 ( 0.000 18.868 0.564) 18.876 2.639 ( 0.000 10.060 0.157) 10.061 2.838 ( 0.000 8.500 1.302) 8.599 2.905 ( 0.000 -0.254 -6.936) 6.940 3.362 ( 0.000 -5.055 9.150) 10.453 3.548 ( 0.000 -8.159 -3.372) 8.829 3.938 ( 0.000 -9.781 1.177) 9.851 5.051 ( 0.000 24.382 1.701) 24.442 5.402 ( 0.000 17.524 -2.045) 17.642 5.534 ( 0.000 18.124 -1.464) 18.183 5.593 ( 0.000 17.843 -2.624) 18.035 6.903 ( 0.000 2.143 1.470) 2.599 7.181 ( 0.000 -2.172 0.351) 2.201 7.624 ( 0.000 0.147 3.346) 3.349 7.818 ( 0.000 9.034 -2.645) 9.413 8.696 ( 0.000 -1.007 -2.491) 2.687 9.151 ( 0.000 5.492 -5.592) 7.838 9.251 ( 0.000 9.249 -2.237) 9.516 9.586 ( 0.000 -4.540 1.870) 4.910 9.819 ( 0.000 3.121 -2.727) 4.144 9.941 ( 0.000 1.010 -0.792) 1.283 10.167 ( 0.000 -7.773 -0.582) 7.795 10.364 ( 0.000 -6.132 -6.100) 8.650 11.425 ( 0.000 6.487 9.358) 11.387 12.026 ( 0.000 2.107 4.712) 5.162 12.324 ( 0.000 -5.397 4.387) 6.955 12.559 ( 0.000 -14.821 2.224) 14.987 12.958 ( 0.000 15.215 -1.647) 15.304 13.103 ( 0.000 7.322 -1.269) 7.431 13.645 ( 0.000 -5.676 -9.723) 11.258 13.788 ( 0.000 -4.762 -7.824) 9.159 15.430 ( 0.000 2.823 5.054) 5.789 15.724 ( 0.000 -5.841 4.715) 7.506 15.838 ( 0.000 -11.353 -1.757) 11.488 15.976 ( 0.000 -13.119 1.233) 13.177 28.987 ( 0.000 11.869 0.891) 11.903 29.276 ( 0.000 6.906 -1.998) 7.190 29.361 ( 0.000 6.246 0.037) 6.246 29.366 ( 0.000 4.305 1.367) 4.517 31.760 ( 0.000 5.770 0.244) 5.775 31.819 ( 0.000 2.011 -0.112) 2.014 32.205 ( 0.000 -6.904 -0.502) 6.923 32.275 ( 0.000 -6.216 -0.302) 6.223 83.459 ( 0.000 0.989 -0.071) 0.992 83.497 ( 0.000 -0.683 -0.672) 0.958 83.802 ( 0.000 -5.943 8.682) 10.521 83.833 ( 0.000 -4.451 7.118) 8.395 ======================= Grid point 101 (41/144) ======================= q-point: ( 0.20 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 3.328 14.141 -1.586) 14.614 2.547 ( -1.767 18.329 1.191) 18.452 2.629 ( -1.831 12.300 -0.411) 12.442 2.708 ( -7.009 9.505 0.780) 11.835 3.053 ( 9.024 -0.999 -6.697) 11.282 3.406 ( 3.299 -5.023 8.284) 10.234 3.521 ( -1.384 -8.880 -2.610) 9.359 3.898 ( -4.317 -10.249 2.584) 11.417 5.081 ( 3.286 24.723 1.130) 24.966 5.399 ( -2.104 19.459 -3.733) 19.926 5.496 ( -1.019 17.461 0.391) 17.495 5.608 ( 0.216 16.605 -2.820) 16.844 6.936 ( 3.629 2.250 1.503) 4.527 7.242 ( 6.249 -2.039 0.075) 6.574 7.463 ( -12.306 3.072 2.172) 12.868 7.826 ( -3.816 2.083 -0.940) 4.447 8.713 ( 4.123 5.253 -3.199) 7.405 9.203 ( -5.129 9.946 -2.765) 11.527 9.264 ( 9.925 1.816 -5.159) 11.332 9.626 ( 3.027 -6.016 1.474) 6.894 9.798 ( -1.369 4.955 -2.983) 5.944 9.948 ( 0.001 1.513 0.553) 1.611 10.196 ( 3.203 -7.731 -1.474) 8.497 10.369 ( 0.135 -6.102 -5.617) 8.295 11.440 ( 1.897 6.273 8.922) 11.070 11.903 ( -10.952 2.977 5.308) 12.529 12.372 ( 3.593 -7.661 4.092) 9.399 12.542 ( -1.796 -14.855 2.412) 15.156 12.966 ( 0.873 14.811 -1.518) 14.914 13.081 ( -2.171 8.507 -1.206) 8.862 13.656 ( 1.099 -5.555 -9.481) 11.043 13.771 ( -1.734 -4.811 -7.970) 9.470 15.468 ( 3.788 2.060 4.920) 6.542 15.705 ( -2.021 -4.967 4.576) 7.050 15.854 ( 1.616 -11.504 -1.411) 11.702 15.965 ( -1.165 -12.876 0.986) 12.966 29.010 ( 2.437 11.636 0.794) 11.915 29.243 ( -3.378 8.079 -1.193) 8.838 29.354 ( 0.021 4.702 0.344) 4.714 29.376 ( 0.233 5.224 0.463) 5.249 31.771 ( 1.059 5.166 0.139) 5.275 31.818 ( -0.142 2.176 -0.131) 2.184 32.210 ( 0.607 -6.801 -0.476) 6.845 32.267 ( -0.782 -6.241 -0.313) 6.298 83.474 ( 1.603 0.995 -0.304) 1.911 83.512 ( 1.324 -0.298 -1.224) 1.828 83.788 ( -1.296 -5.893 9.072) 10.895 83.821 ( -1.305 -5.080 7.416) 9.083 ======================= Grid point 102 (42/144) ======================= q-point: ( 0.40 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 5.830 15.701 -1.317) 16.800 2.499 ( -4.506 17.984 0.505) 18.547 2.584 ( -0.945 13.944 0.227) 13.978 2.612 ( -3.367 12.098 1.616) 12.662 3.216 ( 8.390 -3.266 -6.331) 11.006 3.361 ( -6.654 -4.375 -3.392) 8.656 3.611 ( 8.959 -10.181 6.554) 15.062 3.779 ( -8.132 -10.614 5.286) 14.378 5.172 ( 6.207 24.543 -0.321) 25.318 5.300 ( -6.954 22.986 -2.198) 24.115 5.531 ( 3.308 15.552 -1.058) 15.935 5.588 ( -2.297 15.625 -2.381) 15.971 7.042 ( 7.698 2.750 1.508) 8.312 7.221 ( -11.020 3.663 1.237) 11.679 7.425 ( 11.179 -2.709 0.503) 11.514 7.658 ( -12.345 -1.909 -0.180) 12.493 8.864 ( 10.630 10.198 -3.658) 15.178 9.062 ( -9.583 10.824 -3.471) 14.867 9.458 ( 9.852 -2.057 -4.622) 11.075 9.609 ( -5.528 -5.321 -2.916) 8.208 9.832 ( 4.937 4.987 0.627) 7.045 9.919 ( -3.351 2.780 1.577) 4.630 10.278 ( 4.895 -7.082 -2.918) 9.090 10.351 ( -2.434 -6.347 -4.383) 8.088 11.513 ( 6.338 5.535 7.803) 11.476 11.682 ( -11.295 4.333 6.470) 13.719 12.436 ( 3.295 -11.685 3.584) 12.659 12.496 ( -2.988 -14.254 2.937) 14.857 12.991 ( 1.806 13.497 -1.276) 13.677 13.033 ( -2.611 11.146 -1.151) 11.505 13.686 ( 2.073 -5.265 -8.924) 10.567 13.730 ( -2.468 -4.979 -8.363) 10.041 15.557 ( 5.231 0.006 4.651) 7.000 15.647 ( -4.123 -2.687 4.491) 6.662 15.892 ( 2.290 -11.892 -0.631) 12.127 15.934 ( -2.042 -12.384 0.284) 12.554 29.074 ( 4.273 10.907 0.469) 11.723 29.162 ( -4.821 9.673 -0.162) 10.809 29.361 ( 0.629 4.604 0.110) 4.648 29.373 ( -0.498 4.951 0.168) 4.979 31.794 ( 1.196 3.877 -0.049) 4.057 31.811 ( -0.633 2.766 -0.140) 2.841 32.226 ( 1.072 -6.564 -0.414) 6.664 32.248 ( -1.182 -6.348 -0.350) 6.467 83.511 ( 1.904 1.062 -1.180) 2.479 83.530 ( 0.121 0.677 -1.987) 2.103 83.771 ( -0.071 -6.286 9.523) 11.411 83.789 ( -1.753 -6.033 8.447) 10.527 ======================= Grid point 105 (43/144) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 11.048 -1.688) 11.176 2.804 ( 0.000 -0.372 -5.867) 5.879 2.822 ( 0.000 8.366 -1.097) 8.438 3.001 ( 0.000 12.928 2.413) 13.151 3.031 ( 0.000 9.815 -1.054) 9.872 3.225 ( 0.000 -7.065 2.559) 7.514 3.386 ( 0.000 -7.748 -2.325) 8.090 3.682 ( 0.000 -14.428 1.239) 14.481 5.467 ( 0.000 15.601 -0.549) 15.611 5.651 ( 0.000 6.762 -1.453) 6.916 5.820 ( 0.000 9.830 -2.092) 10.050 5.860 ( 0.000 8.284 -3.217) 8.887 6.975 ( 0.000 4.369 -0.265) 4.377 7.132 ( 0.000 -2.831 -0.191) 2.837 7.673 ( 0.000 4.379 2.475) 5.030 7.883 ( 0.000 -2.248 -0.641) 2.338 8.805 ( 0.000 10.750 -5.008) 11.860 9.192 ( 0.000 -2.335 -7.557) 7.909 9.414 ( 0.000 6.215 -3.399) 7.084 9.506 ( 0.000 -1.982 0.959) 2.202 9.892 ( 0.000 2.387 -2.743) 3.636 9.961 ( 0.000 1.321 -0.828) 1.559 10.019 ( 0.000 -5.327 0.856) 5.395 10.218 ( 0.000 -7.806 -3.314) 8.480 11.597 ( 0.000 10.609 6.456) 12.419 12.076 ( 0.000 2.881 5.669) 6.360 12.181 ( 0.000 -13.426 2.637) 13.682 12.249 ( 0.000 -8.964 5.839) 10.699 13.227 ( 0.000 10.442 -2.995) 10.863 13.295 ( 0.000 10.590 0.111) 10.590 13.528 ( 0.000 -5.893 -6.649) 8.884 13.668 ( 0.000 -6.951 -2.958) 7.554 15.481 ( 0.000 2.448 1.771) 3.022 15.639 ( 0.000 -2.245 2.878) 3.650 15.649 ( 0.000 -7.158 -1.062) 7.236 15.756 ( 0.000 -8.249 1.459) 8.377 29.198 ( 0.000 8.637 0.677) 8.664 29.368 ( 0.000 1.330 -0.819) 1.562 29.435 ( 0.000 2.943 1.161) 3.164 29.455 ( 0.000 2.895 0.239) 2.904 31.876 ( 0.000 3.525 -0.391) 3.547 31.883 ( 0.000 6.251 -0.173) 6.253 32.073 ( 0.000 -5.957 -0.516) 5.980 32.146 ( 0.000 -6.419 -0.332) 6.428 83.475 ( 0.000 0.558 1.046) 1.185 83.486 ( 0.000 -0.363 0.151) 0.394 83.723 ( 0.000 -1.932 3.181) 3.722 83.758 ( 0.000 -2.901 3.771) 4.758 ======================= Grid point 106 (44/144) ======================= q-point: ( 0.20 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 4.831 11.904 -1.703) 12.959 2.822 ( 0.860 8.375 -1.282) 8.516 2.826 ( 0.917 5.051 -3.978) 6.495 2.970 ( -3.222 16.201 1.518) 16.588 3.057 ( 2.252 3.078 -3.367) 5.088 3.257 ( 4.001 -9.201 4.756) 11.104 3.350 ( -3.628 -7.573 -3.198) 8.986 3.640 ( -4.392 -14.373 2.081) 15.172 5.497 ( 3.093 15.441 -0.889) 15.772 5.674 ( 2.083 7.242 -2.060) 7.812 5.782 ( -3.374 10.494 -1.814) 11.171 5.855 ( -1.069 7.453 -2.921) 8.076 7.010 ( 3.912 4.560 -0.020) 6.008 7.187 ( 5.843 -3.395 -0.195) 6.760 7.549 ( -11.177 5.517 1.752) 12.587 7.800 ( -8.931 -4.420 -0.201) 9.967 8.893 ( 8.690 11.616 -5.309) 15.448 9.268 ( 7.121 -2.747 -7.106) 10.429 9.388 ( -3.235 7.706 -4.142) 9.328 9.539 ( 2.430 -2.174 -0.435) 3.289 9.879 ( -0.504 2.532 -1.959) 3.241 9.980 ( 0.976 2.356 0.458) 2.591 10.039 ( 2.764 -6.899 0.024) 7.432 10.224 ( 0.226 -7.706 -2.954) 8.256 11.606 ( 1.277 10.270 6.470) 12.205 11.979 ( -8.858 4.503 5.914) 11.563 12.179 ( -0.395 -14.665 2.956) 14.965 12.238 ( -1.446 -9.749 5.639) 11.355 13.231 ( 0.408 10.499 -2.665) 10.839 13.285 ( -1.007 10.684 -0.176) 10.733 13.539 ( 1.160 -5.954 -6.231) 8.696 13.652 ( -1.626 -6.820 -3.298) 7.748 15.505 ( 2.418 1.926 1.809) 3.582 15.632 ( -0.728 -1.928 2.531) 3.264 15.665 ( 1.465 -7.071 -0.654) 7.251 15.751 ( -0.620 -7.989 1.275) 8.114 29.216 ( 1.899 8.387 0.639) 8.623 29.368 ( -0.502 3.108 -0.887) 3.271 29.414 ( -1.283 2.195 1.245) 2.831 29.455 ( -0.421 2.229 0.297) 2.287 31.878 ( 0.255 3.700 -0.381) 3.729 31.885 ( 0.115 5.900 -0.205) 5.904 32.080 ( 0.691 -5.978 -0.507) 6.039 32.139 ( -0.745 -6.348 -0.355) 6.402 83.493 ( 1.816 0.712 0.747) 2.089 83.509 ( 2.199 -0.063 0.162) 2.206 83.704 ( -1.860 -2.221 3.435) 4.493 83.738 ( -2.041 -3.123 3.783) 5.313 ======================= Grid point 107 (45/144) ======================= q-point: ( 0.40 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 8.006 13.647 -1.659) 15.908 2.825 ( -2.583 11.184 -2.847) 11.826 2.836 ( 0.700 11.971 0.241) 11.994 2.873 ( -5.206 14.517 -0.030) 15.423 3.135 ( 5.876 -4.168 -4.640) 8.569 3.253 ( -6.066 -6.114 -3.439) 9.274 3.378 ( 7.722 -12.288 4.481) 15.189 3.526 ( -7.450 -13.818 3.745) 16.139 5.576 ( 5.077 14.795 -1.707) 15.735 5.671 ( -4.207 13.149 -2.914) 14.110 5.757 ( 2.524 6.395 -1.251) 6.988 5.816 ( -2.952 6.527 -2.402) 7.555 7.125 ( 8.426 5.149 0.493) 9.887 7.318 ( -10.098 5.317 0.696) 11.434 7.350 ( 9.060 -4.172 0.226) 9.977 7.581 ( -13.145 -5.439 -0.081) 14.226 9.090 ( 11.196 11.451 -5.526) 16.942 9.279 ( -8.332 10.027 -5.212) 14.040 9.419 ( 8.008 -2.966 -6.267) 10.592 9.536 ( -3.650 -2.738 -4.271) 6.249 9.906 ( 3.433 2.894 0.786) 4.558 9.969 ( -2.288 2.816 1.494) 3.924 10.124 ( 5.366 -7.637 -1.054) 9.393 10.205 ( -2.711 -7.627 -2.114) 8.366 11.660 ( 4.941 9.131 6.499) 12.249 11.797 ( -9.321 7.090 6.351) 13.322 12.176 ( 0.393 -14.540 3.861) 15.049 12.200 ( -2.060 -12.550 4.945) 13.645 13.243 ( 0.850 10.659 -1.855) 10.853 13.262 ( -1.219 10.771 -0.918) 10.879 13.570 ( 2.080 -6.167 -5.250) 8.362 13.613 ( -2.371 -6.502 -4.161) 8.075 15.560 ( 3.036 0.634 1.932) 3.654 15.608 ( -1.955 -0.822 2.185) 3.045 15.698 ( 1.945 -7.169 -0.025) 7.428 15.731 ( -1.478 -7.483 0.732) 7.663 29.265 ( 3.205 7.660 0.493) 8.318 29.328 ( -3.242 6.474 0.069) 7.241 29.415 ( 1.053 0.623 0.499) 1.321 29.438 ( -1.205 1.345 0.291) 1.829 31.883 ( 0.239 4.239 -0.343) 4.260 31.886 ( -0.011 5.076 -0.276) 5.083 32.097 ( 1.151 -6.052 -0.472) 6.178 32.120 ( -1.184 -6.191 -0.413) 6.317 83.536 ( 2.402 1.414 0.053) 2.788 83.551 ( 1.428 1.288 -0.514) 1.991 83.669 ( -1.083 -3.652 4.412) 5.829 83.690 ( -2.676 -3.838 4.139) 6.247 ======================= Grid point 110 (46/144) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.000 -7.162 -3.256) 7.867 2.713 ( 0.000 7.162 -3.256) 7.867 2.999 ( 0.000 -8.886 -0.090) 8.887 2.999 ( 0.000 8.886 -0.090) 8.887 3.219 ( 0.000 -8.291 -1.661) 8.456 3.219 ( 0.000 8.291 -1.661) 8.456 3.370 ( 0.000 -15.469 0.906) 15.495 3.370 ( 0.000 15.469 0.906) 15.495 5.674 ( 0.000 -4.561 -1.392) 4.769 5.674 ( 0.000 4.561 -1.392) 4.769 5.933 ( 0.000 -1.092 -2.750) 2.959 5.933 ( 0.000 1.092 -2.750) 2.959 7.063 ( 0.000 -3.966 -0.740) 4.034 7.063 ( 0.000 3.966 -0.740) 4.034 7.785 ( 0.000 -6.002 1.354) 6.153 7.785 ( 0.000 6.002 1.354) 6.153 9.048 ( 0.000 -10.987 -7.204) 13.138 9.048 ( 0.000 10.987 -7.204) 13.138 9.487 ( 0.000 -1.130 -1.841) 2.160 9.487 ( 0.000 1.130 -1.841) 2.160 9.924 ( 0.000 -1.765 -1.120) 2.090 9.924 ( 0.000 1.765 -1.120) 2.090 10.066 ( 0.000 -6.467 -1.063) 6.554 10.066 ( 0.000 6.467 -1.063) 6.554 11.860 ( 0.000 -15.002 4.310) 15.609 11.860 ( 0.000 15.002 4.311) 15.609 12.145 ( 0.000 -3.860 6.032) 7.162 12.145 ( 0.000 3.860 6.032) 7.162 13.398 ( 0.000 -7.045 -4.500) 8.360 13.398 ( 0.000 7.045 -4.500) 8.360 13.504 ( 0.000 -9.277 -0.345) 9.283 13.504 ( 0.000 9.277 -0.345) 9.283 15.541 ( 0.000 -3.771 0.002) 3.771 15.541 ( 0.000 3.771 0.002) 3.771 15.643 ( 0.000 -2.837 1.891) 3.409 15.643 ( 0.000 2.837 1.891) 3.409 29.332 ( 0.000 -4.397 0.349) 4.411 29.332 ( 0.000 4.397 0.349) 4.411 29.477 ( 0.000 -0.706 0.430) 0.827 29.477 ( 0.000 0.706 0.430) 0.827 31.960 ( 0.000 -4.553 -0.668) 4.602 31.960 ( 0.000 4.553 -0.668) 4.602 32.015 ( 0.000 -6.167 -0.175) 6.170 32.015 ( 0.000 6.167 -0.175) 6.170 83.482 ( 0.000 -0.159 1.028) 1.040 83.482 ( 0.000 0.159 1.028) 1.040 83.717 ( 0.000 -1.050 1.926) 2.194 83.717 ( 0.000 1.050 1.926) 2.194 ======================= Grid point 112 (47/144) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 5.873 -7.182 -3.361) 9.867 2.771 ( 5.873 7.182 -3.361) 9.867 3.021 ( 2.104 -9.813 -0.161) 10.037 3.021 ( 2.104 9.813 -0.161) 10.037 3.194 ( -2.528 -7.199 -1.866) 7.855 3.194 ( -2.528 7.199 -1.866) 7.855 3.328 ( -4.200 -15.525 1.558) 16.159 3.328 ( -4.201 15.525 1.558) 16.159 5.701 ( 2.754 -4.433 -1.608) 5.461 5.701 ( 2.754 4.433 -1.608) 5.461 5.911 ( -2.301 -1.905 -2.692) 4.021 5.911 ( -2.301 1.905 -2.692) 4.021 7.106 ( 4.656 -4.490 -0.529) 6.490 7.106 ( 4.656 4.490 -0.529) 6.490 7.678 ( -10.282 -6.702 1.011) 12.315 7.678 ( -10.282 6.702 1.011) 12.315 9.131 ( 7.904 -10.265 -7.014) 14.733 9.131 ( 7.904 10.265 -7.014) 14.733 9.499 ( 0.217 -3.061 -3.272) 4.486 9.499 ( 0.217 3.061 -3.272) 4.486 9.928 ( 1.164 -3.312 -0.431) 3.537 9.928 ( 1.164 3.312 -0.431) 3.537 10.075 ( 0.408 -6.379 -0.618) 6.422 10.075 ( 0.408 6.379 -0.618) 6.422 11.861 ( 0.358 -14.529 4.545) 15.228 11.861 ( 0.358 14.529 4.545) 15.228 12.089 ( -5.426 -6.181 6.042) 10.206 12.089 ( -5.426 6.181 6.042) 10.206 13.406 ( 0.830 -7.256 -4.061) 8.356 13.406 ( 0.830 7.256 -4.061) 8.356 13.491 ( -1.269 -9.072 -0.753) 9.192 13.491 ( -1.269 9.072 -0.753) 9.192 15.558 ( 1.669 -3.545 0.176) 3.922 15.558 ( 1.669 3.545 0.176) 3.922 15.641 ( -0.327 -2.829 1.691) 3.312 15.641 ( -0.327 2.829 1.691) 3.312 29.346 ( 1.378 -4.154 0.361) 4.391 29.346 ( 1.378 4.154 0.361) 4.391 29.463 ( -1.482 -1.391 0.427) 2.077 29.463 ( -1.482 1.391 0.427) 2.077 31.966 ( 0.593 -4.665 -0.625) 4.744 31.966 ( 0.593 4.665 -0.625) 4.744 32.011 ( -0.490 -5.970 -0.227) 5.994 32.011 ( -0.490 5.970 -0.227) 5.994 83.504 ( 2.334 -0.444 1.111) 2.623 83.504 ( 2.334 0.444 1.111) 2.623 83.694 ( -2.301 -1.038 1.838) 3.123 83.694 ( -2.301 1.038 1.838) 3.123 ======================= Grid point 114 (48/144) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 8.207 -5.729 -3.752) 10.689 2.910 ( 8.207 5.729 -3.752) 10.689 3.034 ( -3.164 -3.889 -2.843) 5.763 3.034 ( -3.164 3.889 -2.843) 5.763 3.159 ( 1.086 -3.721 0.706) 3.940 3.159 ( 1.086 3.721 0.706) 3.940 3.232 ( -5.363 -13.646 2.490) 14.872 3.232 ( -5.363 13.646 2.490) 14.872 5.769 ( 4.292 -3.974 -2.075) 6.207 5.769 ( 4.292 3.974 -2.075) 6.207 5.850 ( -4.020 -3.097 -2.481) 5.649 5.850 ( -4.020 3.097 -2.481) 5.649 7.239 ( 9.538 -5.695 -0.048) 11.109 7.239 ( 9.538 5.695 -0.048) 11.109 7.452 ( -12.623 -6.742 0.472) 14.319 7.452 ( -12.623 6.742 0.472) 14.319 9.302 ( 9.403 -8.563 -6.676) 14.363 9.302 ( 9.403 8.563 -6.676) 14.363 9.451 ( -5.696 -6.338 -5.714) 10.260 9.451 ( -5.696 6.338 -5.714) 10.260 9.986 ( 4.524 -5.429 0.554) 7.088 9.986 ( 4.524 5.429 0.554) 7.088 10.059 ( -2.497 -6.143 0.136) 6.632 10.059 ( -2.497 6.143 0.136) 6.632 11.887 ( 2.812 -12.921 5.194) 14.207 11.887 ( 2.812 12.921 5.194) 14.207 11.973 ( -6.062 -9.944 5.841) 13.029 11.973 ( -6.062 9.944 5.841) 13.029 13.429 ( 1.530 -7.819 -3.002) 8.514 13.429 ( 1.530 7.819 -3.002) 8.514 13.461 ( -1.803 -8.519 -1.770) 8.886 13.461 ( -1.803 8.519 -1.770) 8.886 15.595 ( 2.049 -3.097 0.628) 3.766 15.595 ( 2.049 3.097 0.628) 3.766 15.627 ( -1.231 -2.847 1.198) 3.325 15.627 ( -1.231 2.847 1.198) 3.325 29.381 ( 2.280 -3.468 0.389) 4.169 29.381 ( 2.280 3.468 0.389) 4.169 29.426 ( -2.343 -2.476 0.414) 3.434 29.426 ( -2.343 2.476 0.414) 3.434 31.981 ( 0.910 -4.999 -0.509) 5.106 31.981 ( 0.910 4.999 -0.509) 5.106 31.998 ( -0.847 -5.497 -0.357) 5.573 31.998 ( -0.847 5.497 -0.357) 5.573 83.563 ( 3.759 -0.765 1.332) 4.061 83.563 ( 3.759 0.765 1.332) 4.061 83.636 ( -3.739 -0.963 1.610) 4.183 83.636 ( -3.739 0.963 1.610) 4.183 ======================= Grid point 150 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 0.000 18.696) 18.696 0.942 ( 0.000 0.000 21.724) 21.724 1.712 ( 0.000 0.000 25.831) 25.831 1.964 ( 0.000 0.000 15.044) 15.044 2.146 ( 0.000 0.000 6.189) 6.189 2.383 ( 0.000 0.000 -3.173) 3.173 2.860 ( 0.000 0.000 -2.690) 2.690 3.011 ( 0.000 0.000 -5.365) 5.365 3.687 ( 0.000 0.000 2.361) 2.361 4.017 ( 0.000 0.000 -1.803) 1.803 4.306 ( 0.000 0.000 18.079) 18.079 4.936 ( 0.000 0.000 7.281) 7.281 7.151 ( 0.000 0.000 10.605) 10.605 7.159 ( 0.000 0.000 2.163) 2.163 7.477 ( 0.000 0.000 -1.151) 1.151 7.843 ( 0.000 0.000 -3.569) 3.569 8.183 ( 0.000 0.000 0.985) 0.985 8.377 ( 0.000 0.000 -0.060) 0.060 8.392 ( 0.000 0.000 -1.530) 1.530 8.755 ( 0.000 0.000 -6.342) 6.342 9.803 ( 0.000 0.000 13.037) 13.037 10.347 ( 0.000 0.000 -7.941) 7.941 10.388 ( 0.000 0.000 -8.155) 8.155 11.698 ( 0.000 0.000 -13.571) 13.571 11.738 ( 0.000 0.000 1.738) 1.738 11.817 ( 0.000 0.000 2.003) 2.003 11.917 ( 0.000 0.000 -0.307) 0.307 11.996 ( 0.000 0.000 10.043) 10.043 12.046 ( 0.000 0.000 -0.583) 0.583 12.769 ( 0.000 0.000 -14.924) 14.924 12.788 ( 0.000 0.000 0.079) 0.079 13.971 ( 0.000 0.000 -9.403) 9.403 15.674 ( 0.000 0.000 30.017) 30.017 16.883 ( 0.000 0.000 -6.771) 6.771 17.262 ( 0.000 0.000 1.349) 1.349 17.487 ( 0.000 0.000 -1.616) 1.616 27.978 ( 0.000 0.000 4.711) 4.711 28.049 ( 0.000 0.000 3.245) 3.245 28.641 ( 0.000 0.000 -2.221) 2.221 28.674 ( 0.000 0.000 -3.838) 3.838 31.524 ( 0.000 0.000 4.968) 4.968 31.909 ( 0.000 0.000 0.488) 0.488 32.673 ( 0.000 0.000 -0.141) 0.141 32.762 ( 0.000 0.000 -1.572) 1.572 83.578 ( 0.000 0.000 5.160) 5.160 83.825 ( 0.000 0.000 11.439) 11.439 84.962 ( 0.000 0.000 30.419) 30.419 87.992 ( 0.000 0.000 -10.910) 10.910 ======================= Grid point 151 (50/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 6.875 0.000 14.432) 15.986 1.062 ( 11.922 0.000 18.361) 21.892 1.669 ( -8.723 0.000 9.254) 12.717 1.967 ( -14.376 0.000 5.657) 15.449 2.028 ( 11.422 0.000 27.682) 29.946 2.509 ( 8.910 0.000 -1.893) 9.109 2.838 ( -2.326 0.000 -2.616) 3.500 3.004 ( -4.148 0.000 -1.539) 4.425 3.565 ( -5.801 0.000 5.773) 8.184 3.977 ( -5.980 0.000 1.429) 6.148 4.453 ( 12.452 0.000 10.434) 16.246 4.908 ( -2.886 0.000 6.851) 7.434 7.184 ( 2.579 0.000 1.960) 3.239 7.196 ( 4.593 0.000 10.260) 11.241 7.438 ( -3.883 0.000 -0.620) 3.932 7.709 ( -11.634 0.000 3.336) 12.103 8.211 ( 2.795 0.000 0.532) 2.845 8.377 ( 4.347 0.000 -1.374) 4.559 8.378 ( -1.537 0.000 -1.400) 2.079 8.837 ( 1.086 0.000 -4.438) 4.569 9.967 ( 12.200 0.000 -1.335) 12.273 10.305 ( -3.213 0.000 -8.734) 9.306 10.570 ( 19.515 0.000 -10.741) 22.275 11.683 ( -4.544 0.000 -16.187) 16.813 11.743 ( 0.548 0.000 1.748) 1.831 11.804 ( -1.178 0.000 1.885) 2.223 11.935 ( 1.682 0.000 -0.241) 1.699 11.974 ( 0.807 0.000 10.909) 10.939 12.036 ( -1.037 0.000 -0.540) 1.169 12.542 ( -12.680 0.000 -13.090) 18.225 13.066 ( 17.303 0.000 -3.717) 17.697 13.899 ( -7.539 0.000 -8.818) 11.601 15.774 ( 10.534 0.000 30.650) 32.410 16.851 ( -7.645 0.000 2.948) 8.194 17.152 ( -9.266 0.000 4.846) 10.457 17.364 ( -7.728 0.000 -3.710) 8.573 27.985 ( 0.672 0.000 4.587) 4.636 28.042 ( -0.737 0.000 3.404) 3.483 28.644 ( 0.361 0.000 -2.395) 2.422 28.671 ( -0.296 0.000 -3.699) 3.711 31.646 ( 10.427 0.000 -0.902) 10.466 31.910 ( -0.063 0.000 -0.369) 0.374 32.674 ( 0.261 0.000 -0.112) 0.284 32.752 ( -1.078 0.000 -1.551) 1.889 83.574 ( -0.062 0.000 6.196) 6.196 83.764 ( -5.404 0.000 10.378) 11.700 85.155 ( 19.416 0.000 31.133) 36.691 87.409 ( -51.929 0.000 12.950) 53.519 ======================= Grid point 152 (51/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 12.963 0.000 7.397) 14.925 1.343 ( 16.956 0.000 12.612) 21.132 1.423 ( -15.148 0.000 4.188) 15.716 1.668 ( -17.112 0.000 8.159) 18.958 2.361 ( 21.548 0.000 24.175) 32.384 2.662 ( 7.094 0.000 -2.061) 7.387 2.765 ( -19.647 0.000 12.321) 23.191 2.772 ( -4.701 0.000 -2.395) 5.275 3.610 ( 8.914 0.000 3.305) 9.506 3.810 ( -10.895 0.000 2.539) 11.187 4.675 ( 10.247 0.000 6.102) 11.926 4.826 ( -6.002 0.000 5.869) 8.395 7.252 ( 4.581 0.000 1.361) 4.779 7.316 ( 8.056 0.000 9.251) 12.267 7.347 ( -5.311 0.000 0.427) 5.328 7.492 ( -10.689 0.000 7.694) 13.170 8.274 ( 3.573 0.000 -0.311) 3.587 8.336 ( -2.871 0.000 -0.998) 3.040 8.536 ( 11.168 0.000 -1.576) 11.279 8.743 ( -9.573 0.000 -0.996) 9.624 10.133 ( 6.214 0.000 -8.973) 10.915 10.231 ( -4.566 0.000 -9.707) 10.727 11.040 ( 26.365 0.000 -15.053) 30.359 11.464 ( -17.953 0.000 -13.056) 22.198 11.758 ( 1.008 0.000 1.770) 2.036 11.780 ( -1.293 0.000 1.802) 2.218 11.971 ( 2.101 0.000 -0.291) 2.121 12.009 ( -1.806 0.000 -0.426) 1.856 12.084 ( 9.622 0.000 -1.489) 9.736 12.299 ( -12.794 0.000 -11.323) 17.085 13.402 ( 17.618 0.000 -5.211) 18.372 13.699 ( -13.580 0.000 -7.358) 15.446 16.060 ( 19.676 0.000 31.509) 37.148 16.490 ( -24.936 0.000 27.575) 37.178 17.131 ( 4.619 0.000 -5.585) 7.247 17.240 ( -6.286 0.000 -5.942) 8.649 28.002 ( 1.115 0.000 4.248) 4.392 28.024 ( -1.155 0.000 3.798) 3.970 28.653 ( 0.547 0.000 -2.827) 2.879 28.664 ( -0.508 0.000 -3.323) 3.361 31.819 ( 6.799 0.000 -4.583) 8.199 31.896 ( -1.895 0.000 -2.679) 3.282 32.689 ( 1.444 0.000 -0.551) 1.545 32.723 ( -1.884 0.000 -1.252) 2.262 83.592 ( 2.257 0.000 7.513) 7.845 83.661 ( -4.932 0.000 8.544) 9.865 85.653 ( 33.509 0.000 33.551) 47.418 86.419 ( -48.465 0.000 32.545) 58.378 ======================= Grid point 155 (52/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 12.830 15.031) 19.762 1.211 ( 0.000 17.506 20.143) 26.687 1.850 ( 0.000 11.671 8.865) 14.656 2.063 ( 0.000 14.066 21.836) 25.975 2.319 ( 0.000 14.521 8.909) 17.036 2.522 ( 0.000 10.849 -3.026) 11.263 3.003 ( 0.000 11.365 -3.425) 11.870 3.139 ( 0.000 15.332 -4.632) 16.016 3.748 ( 0.000 6.475 1.084) 6.565 4.003 ( 0.000 -1.337 -1.384) 1.925 4.312 ( 0.000 0.949 17.089) 17.116 4.916 ( 0.000 -1.813 7.334) 7.555 7.127 ( 0.000 0.228 7.699) 7.703 7.392 ( 0.000 10.858 2.853) 11.227 7.439 ( 0.000 -3.194 -0.526) 3.237 7.869 ( 0.000 1.755 -1.806) 2.518 8.199 ( 0.000 7.258 -1.003) 7.327 8.425 ( 0.000 4.905 -0.637) 4.946 8.497 ( 0.000 9.222 -1.606) 9.361 8.935 ( 0.000 13.345 -11.721) 17.761 9.777 ( 0.000 -2.123 11.743) 11.933 10.275 ( 0.000 -8.778 -6.940) 11.190 10.339 ( 0.000 -0.595 -7.814) 7.836 11.344 ( 0.000 -23.662 -9.190) 25.384 11.740 ( 0.000 -11.750 13.072) 17.577 11.800 ( 0.000 5.896 0.978) 5.976 11.880 ( 0.000 6.130 1.163) 6.239 12.006 ( 0.000 0.557 4.446) 4.481 12.379 ( 0.000 24.429 -15.105) 28.722 12.782 ( 0.000 -0.649 0.987) 1.181 13.089 ( 0.000 20.506 -19.320) 28.174 13.897 ( 0.000 -7.114 -8.806) 11.321 15.670 ( 0.000 -0.444 28.250) 28.254 16.812 ( 0.000 -6.798 -6.403) 9.339 17.180 ( 0.000 -7.830 1.368) 7.949 17.242 ( 0.000 -20.716 6.562) 21.730 28.046 ( 0.000 6.492 4.426) 7.857 28.225 ( 0.000 14.427 -2.388) 14.623 28.689 ( 0.000 4.633 -2.088) 5.082 28.727 ( 0.000 5.094 -3.666) 6.277 31.532 ( 0.000 0.833 4.692) 4.766 31.893 ( 0.000 -1.541 0.607) 1.657 32.652 ( 0.000 -2.018 -0.164) 2.025 32.726 ( 0.000 -3.423 -1.399) 3.697 83.574 ( 0.000 -0.437 4.896) 4.916 83.764 ( 0.000 -5.433 11.237) 12.482 84.886 ( 0.000 -7.134 28.987) 29.852 87.126 ( 0.000 -67.713 22.322) 71.298 ======================= Grid point 156 (53/144) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 3.291 10.795 12.754) 17.030 1.301 ( 8.679 15.073 17.875) 24.941 1.742 ( -11.106 7.811 3.779) 14.094 2.135 ( -8.016 13.068 8.864) 17.709 2.196 ( 7.987 18.886 24.360) 31.842 2.656 ( 9.255 11.762 -1.812) 15.076 2.998 ( -1.329 13.017 -3.161) 13.461 3.119 ( -4.338 13.850 -2.468) 14.722 3.622 ( -6.274 5.953 4.949) 9.965 3.982 ( -5.037 0.765 1.915) 5.443 4.442 ( 11.527 -0.671 10.122) 15.355 4.889 ( -2.864 -1.765 6.809) 7.595 7.155 ( 3.072 -0.444 7.566) 8.178 7.387 ( -0.265 9.212 3.354) 9.807 7.430 ( -1.042 -0.879 0.116) 1.368 7.686 ( -14.373 0.673 4.495) 15.075 8.231 ( 4.131 3.507 -1.366) 5.588 8.458 ( -1.043 9.218 -0.769) 9.308 8.513 ( 5.083 9.842 -2.097) 11.274 8.960 ( -1.375 10.541 -6.591) 12.508 9.960 ( 14.046 -0.829 -2.620) 14.312 10.286 ( -1.637 -2.873 -8.308) 8.942 10.415 ( 13.048 -11.133 -7.751) 18.822 11.320 ( -3.418 -25.059 -10.759) 27.484 11.714 ( -1.856 -10.532 11.110) 15.421 11.814 ( 0.452 5.197 2.678) 5.864 11.848 ( -3.237 1.897 2.137) 4.317 11.950 ( -4.232 4.110 5.849) 8.308 12.427 ( 5.010 24.552 -15.469) 29.448 12.791 ( -1.633 10.000 -9.873) 14.147 13.156 ( 8.509 10.108 -10.782) 17.054 13.830 ( -7.004 -6.646 -8.250) 12.700 15.765 ( 10.017 -0.903 28.737) 30.446 16.779 ( -8.265 -7.040 4.617) 11.797 17.029 ( -8.363 -11.988 5.466) 15.605 17.222 ( -3.024 -11.716 -2.128) 12.286 28.057 ( 1.108 6.837 4.234) 8.118 28.193 ( -2.912 12.850 -0.368) 13.181 28.694 ( 0.484 4.776 -2.329) 5.336 28.724 ( -0.333 5.047 -3.517) 6.161 31.635 ( 9.006 -0.827 0.356) 9.051 31.891 ( -0.270 -1.713 -0.120) 1.738 32.652 ( 0.170 -2.074 -0.140) 2.086 32.717 ( -0.958 -3.319 -1.342) 3.706 83.569 ( -0.191 -0.555 5.942) 5.971 83.720 ( -4.056 -3.983 9.861) 11.382 85.049 ( 16.411 -9.839 29.918) 35.513 86.761 ( -33.854 -52.653 29.908) 69.375 ======================= Grid point 157 (54/144) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 9.844 6.034 7.294) 13.657 1.391 ( -7.842 3.402 5.816) 10.339 1.620 ( 7.778 16.529 12.148) 21.938 1.873 ( -15.206 15.136 10.889) 24.060 2.511 ( 19.775 15.878 19.093) 31.744 2.798 ( 1.985 10.952 1.151) 11.190 2.908 ( -10.930 15.011 4.269) 19.053 2.950 ( -5.871 16.156 -2.277) 17.339 3.648 ( 7.758 4.418 4.078) 9.815 3.830 ( -10.071 2.467 3.490) 10.940 4.655 ( 10.105 -1.724 5.876) 11.816 4.807 ( -6.108 -1.838 5.752) 8.589 7.245 ( 6.497 -1.491 7.141) 9.769 7.371 ( -4.057 0.825 4.736) 6.291 7.407 ( 0.092 6.262 2.032) 6.584 7.462 ( -7.387 0.328 5.946) 9.489 8.327 ( 5.196 4.224 -0.396) 6.709 8.410 ( -3.570 6.708 -0.254) 7.603 8.658 ( 9.775 11.375 -2.387) 15.187 8.849 ( -9.337 10.025 -2.190) 13.873 10.140 ( 5.996 0.715 -9.978) 11.663 10.229 ( -3.912 -0.283 -9.957) 10.702 10.802 ( 23.418 -20.334 -12.215) 33.333 11.167 ( -14.040 -24.771 -12.996) 31.299 11.696 ( 0.473 -9.214 9.373) 13.152 11.743 ( -4.511 -5.127 6.735) 9.591 11.851 ( 1.666 6.243 3.293) 7.252 11.889 ( -2.451 7.226 4.136) 8.679 12.551 ( 7.690 24.219 -16.776) 30.449 12.697 ( -7.285 21.174 -17.293) 28.292 13.388 ( 14.455 -1.122 -5.905) 15.655 13.646 ( -12.262 -5.062 -6.958) 14.980 16.035 ( 18.444 -2.414 29.273) 34.683 16.433 ( -22.886 -5.412 25.960) 35.028 17.033 ( 4.950 -9.185 -5.270) 11.689 17.138 ( -5.526 -9.463 -4.862) 11.989 28.087 ( 2.129 7.955 3.595) 8.986 28.135 ( -2.971 10.037 2.219) 10.700 28.705 ( 0.599 4.931 -2.754) 5.680 28.716 ( -0.527 4.989 -3.178) 5.939 31.792 ( 6.607 -2.284 -3.056) 7.630 31.872 ( -2.209 -2.150 -1.958) 3.652 32.664 ( 1.147 -2.414 -0.448) 2.710 32.692 ( -1.602 -2.952 -1.026) 3.512 83.582 ( 1.874 -0.947 7.117) 7.420 83.639 ( -4.021 -2.000 7.962) 9.141 85.466 ( 27.548 -16.950 32.870) 46.115 86.069 ( -36.304 -30.371 35.202) 58.988 ======================= Grid point 160 (55/144) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 18.980 9.229) 21.105 1.497 ( 0.000 11.923 17.787) 21.413 2.026 ( 0.000 7.501 2.681) 7.966 2.556 ( 0.000 17.651 8.952) 19.791 2.688 ( 0.000 4.485 -4.233) 6.167 2.723 ( 0.000 33.280 16.990) 37.366 3.309 ( 0.000 17.122 -0.253) 17.124 3.607 ( 0.000 27.374 -5.475) 27.916 3.967 ( 0.000 -1.727 1.000) 1.995 3.977 ( 0.000 16.276 -1.805) 16.376 4.382 ( 0.000 7.471 11.865) 14.021 4.867 ( 0.000 -2.779 7.331) 7.840 7.135 ( 0.000 0.104 4.883) 4.884 7.366 ( 0.000 -3.732 0.449) 3.759 7.433 ( 0.000 -3.222 10.830) 11.299 7.885 ( 0.000 -0.635 1.500) 1.629 8.512 ( 0.000 18.122 -9.191) 20.320 8.565 ( 0.000 8.267 -1.841) 8.469 8.721 ( 0.000 11.462 -0.540) 11.474 9.158 ( 0.000 7.166 -9.634) 12.007 9.743 ( 0.000 -0.404 7.470) 7.481 10.142 ( 0.000 -2.609 -9.503) 9.854 10.329 ( 0.000 -0.420 -7.002) 7.015 10.834 ( 0.000 -24.702 -4.342) 25.081 11.611 ( 0.000 -2.366 15.021) 15.206 11.969 ( 0.000 10.475 -1.305) 10.556 12.013 ( 0.000 0.487 4.517) 4.543 12.062 ( 0.000 11.414 0.226) 11.416 12.759 ( 0.000 -1.578 3.017) 3.404 12.857 ( 0.000 21.234 -22.863) 31.203 13.409 ( 0.000 10.098 -21.319) 23.590 13.693 ( 0.000 -12.590 -7.294) 14.550 15.655 ( 0.000 -1.040 23.442) 23.465 16.616 ( 0.000 -12.044 -5.428) 13.211 16.780 ( 0.000 -22.566 13.002) 26.044 16.957 ( 0.000 -13.682 1.348) 13.748 28.230 ( 0.000 11.131 3.738) 11.742 28.534 ( 0.000 14.620 -5.550) 15.638 28.822 ( 0.000 8.117 -1.699) 8.293 28.872 ( 0.000 8.775 -3.079) 9.300 31.558 ( 0.000 1.768 3.919) 4.299 31.854 ( 0.000 -2.070 0.751) 2.202 32.593 ( 0.000 -3.746 -0.247) 3.754 32.628 ( 0.000 -5.945 -1.028) 6.034 83.561 ( 0.000 -0.808 4.168) 4.245 83.635 ( 0.000 -6.406 9.772) 11.684 84.691 ( 0.000 -11.463 25.071) 27.567 85.822 ( 0.000 -54.484 39.015) 67.012 ======================= Grid point 161 (56/144) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.282 17.251 8.348) 19.167 1.558 ( 4.619 11.536 14.120) 18.809 1.924 ( -7.884 9.336 5.520) 13.408 2.403 ( -12.089 10.716 9.771) 18.880 2.786 ( 9.585 34.894 13.709) 38.697 2.860 ( 10.040 8.063 -1.506) 12.965 3.312 ( -0.612 16.264 -2.151) 16.417 3.575 ( -5.062 28.216 -4.260) 28.981 3.809 ( -5.187 10.417 3.464) 12.141 4.048 ( -1.389 8.041 3.225) 8.774 4.462 ( 7.934 4.221 7.020) 11.404 4.841 ( -2.745 -2.598 6.523) 7.539 7.148 ( 1.568 -0.578 5.299) 5.556 7.377 ( -0.577 -4.924 4.872) 6.951 7.419 ( 0.098 -1.296 6.273) 6.406 7.783 ( -10.200 4.515 2.358) 11.401 8.363 ( -1.797 8.206 -2.544) 8.777 8.671 ( -4.670 9.929 0.381) 10.979 8.779 ( 10.419 15.573 -4.670) 19.310 9.189 ( -0.026 10.415 -7.240) 12.684 9.899 ( 15.490 -6.091 -0.275) 16.647 10.158 ( 1.697 -3.478 -9.300) 10.073 10.322 ( -0.121 -0.705 -7.969) 8.001 10.795 ( -4.438 -24.694 -4.982) 25.580 11.594 ( -1.193 -2.157 13.555) 13.778 11.876 ( -9.465 1.756 4.832) 10.771 11.995 ( 1.913 10.771 0.443) 10.949 12.099 ( 0.528 10.308 2.040) 10.521 12.829 ( 6.235 3.455 -5.503) 9.006 12.915 ( 5.693 15.415 -18.436) 24.697 13.383 ( -2.196 8.794 -19.457) 21.465 13.639 ( -5.486 -11.633 -7.052) 14.668 15.737 ( 8.598 -1.832 23.587) 25.172 16.570 ( -9.986 -13.166 10.200) 19.419 16.715 ( -0.216 -16.769 1.179) 16.811 16.948 ( -1.812 -14.934 -0.517) 15.052 28.248 ( 1.911 11.461 3.444) 12.119 28.484 ( -4.675 14.451 -3.253) 15.533 28.830 ( 0.730 8.253 -2.056) 8.536 28.868 ( -0.447 8.703 -2.922) 9.191 31.625 ( 6.175 0.120 1.786) 6.430 31.849 ( -0.643 -2.224 0.303) 2.335 32.591 ( -0.072 -3.871 -0.229) 3.879 32.623 ( -0.591 -5.722 -0.928) 5.827 83.552 ( -0.497 -1.106 5.456) 5.589 83.624 ( -1.292 -4.750 7.839) 9.256 84.790 ( 10.096 -14.614 26.192) 31.646 85.686 ( -13.442 -47.547 37.689) 62.144 ======================= Grid point 162 (57/144) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 4.996 14.041 5.194) 15.782 1.535 ( -7.647 10.446 3.238) 13.345 1.919 ( 8.976 12.296 16.167) 22.206 2.152 ( -13.975 11.224 14.343) 22.956 2.996 ( 10.418 27.012 7.642) 29.943 3.037 ( 7.244 10.973 -1.080) 13.193 3.274 ( -1.670 17.556 -2.977) 17.885 3.392 ( -11.980 26.937 0.824) 29.492 3.833 ( 5.663 13.920 5.298) 15.934 3.959 ( -6.799 11.686 5.681) 14.665 4.627 ( 8.579 0.059 3.954) 9.447 4.763 ( -5.725 -1.890 4.792) 7.701 7.204 ( 4.506 -2.304 6.671) 8.373 7.306 ( -5.617 -4.835 8.364) 11.175 7.473 ( 4.560 2.376 2.369) 5.662 7.591 ( -8.505 6.346 2.816) 10.979 8.428 ( 6.690 5.489 0.574) 8.673 8.561 ( -6.801 7.325 1.243) 10.072 8.956 ( 9.063 16.418 -3.982) 19.172 9.114 ( -7.159 14.628 -4.055) 16.783 10.152 ( 6.339 -1.726 -10.614) 12.483 10.193 ( 0.813 -4.706 -9.144) 10.316 10.405 ( 11.982 -12.915 -7.115) 19.000 10.652 ( -11.110 -22.959 -6.338) 26.281 11.599 ( 2.552 -1.391 11.236) 11.606 11.702 ( -8.119 0.090 8.461) 11.726 12.039 ( 2.489 11.370 1.760) 11.772 12.082 ( -1.933 11.376 2.408) 11.788 12.949 ( 5.781 11.310 -16.475) 20.803 13.004 ( 1.334 10.626 -16.914) 20.019 13.378 ( 3.416 0.808 -12.012) 12.514 13.504 ( -8.233 -8.170 -7.221) 13.663 15.964 ( 15.206 -4.380 23.456) 28.294 16.281 ( -17.699 -9.012 21.253) 29.089 16.783 ( 5.356 -14.596 -4.320) 16.137 16.883 ( -4.805 -14.896 -2.967) 15.931 28.301 ( 3.755 12.389 2.423) 13.170 28.386 ( -5.190 13.612 0.248) 14.570 28.845 ( 0.738 8.431 -2.431) 8.805 28.857 ( -0.625 8.567 -2.678) 8.998 31.745 ( 5.646 -1.982 -0.641) 6.018 31.821 ( -2.565 -2.474 -0.638) 3.620 32.594 ( 0.476 -4.347 -0.334) 4.386 32.608 ( -0.889 -5.103 -0.648) 5.220 83.557 ( 1.120 -1.453 6.104) 6.373 83.590 ( -2.115 -2.565 6.266) 7.093 85.044 ( 16.335 -22.513 29.360) 40.444 85.375 ( -18.239 -34.075 33.865) 51.386 ======================= Grid point 165 (58/144) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 12.188 9.964) 15.743 1.783 ( 0.000 20.691 5.225) 21.341 2.201 ( 0.000 9.803 2.483) 10.112 2.738 ( 0.000 1.176 -5.479) 5.604 2.756 ( 0.000 5.395 9.501) 10.926 3.487 ( 0.000 35.797 8.625) 36.821 3.561 ( 0.000 6.032 1.920) 6.330 3.856 ( 0.000 -4.143 5.588) 6.957 4.261 ( 0.000 30.336 -5.731) 30.872 4.367 ( 0.000 19.023 -1.877) 19.115 4.667 ( 0.000 19.997 3.006) 20.222 4.838 ( 0.000 2.336 5.712) 6.172 7.096 ( 0.000 -4.299 5.174) 6.727 7.295 ( 0.000 -3.130 0.986) 3.281 7.413 ( 0.000 3.021 7.156) 7.767 7.841 ( 0.000 -3.400 4.043) 5.283 8.741 ( 0.000 8.535 -3.603) 9.265 8.759 ( 0.000 3.894 -9.545) 10.309 8.923 ( 0.000 8.034 1.225) 8.127 9.286 ( 0.000 8.208 -2.516) 8.584 9.780 ( 0.000 3.790 1.682) 4.147 10.141 ( 0.000 -0.948 -12.062) 12.099 10.312 ( 0.000 -1.582 -5.172) 5.409 10.389 ( 0.000 -16.731 -0.360) 16.734 11.597 ( 0.000 0.309 15.593) 15.596 12.034 ( 0.000 1.675 4.517) 4.817 12.221 ( 0.000 14.099 -3.789) 14.600 12.320 ( 0.000 12.888 0.791) 12.913 12.723 ( 0.000 -1.474 4.730) 4.954 13.221 ( 0.000 14.218 -21.959) 26.160 13.401 ( 0.000 -15.527 -5.393) 16.437 13.520 ( 0.000 1.847 -19.407) 19.495 15.627 ( 0.000 -1.717 16.987) 17.074 16.341 ( 0.000 -14.464 -4.153) 15.048 16.362 ( 0.000 -18.079 11.726) 21.549 16.643 ( 0.000 -16.530 1.249) 16.577 28.483 ( 0.000 13.305 2.958) 13.630 28.810 ( 0.000 12.536 -4.386) 13.281 29.007 ( 0.000 9.643 -1.123) 9.709 29.066 ( 0.000 9.751 -1.940) 9.942 31.605 ( 0.000 2.845 2.803) 3.994 31.816 ( 0.000 -1.441 0.664) 1.587 32.492 ( 0.000 -7.237 -0.724) 7.273 32.502 ( 0.000 -5.041 -0.380) 5.056 83.527 ( 0.000 -3.944 6.797) 7.858 83.542 ( 0.000 -1.037 3.147) 3.313 84.442 ( 0.000 -12.388 19.668) 23.244 84.928 ( 0.000 -34.528 30.341) 45.965 ======================= Grid point 166 (59/144) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.310 16.176 5.518) 17.141 1.824 ( 2.443 15.703 6.454) 17.152 2.132 ( -4.725 11.201 5.429) 13.314 2.558 ( -10.843 5.237 8.175) 14.554 2.941 ( 10.957 2.106 -2.132) 11.359 3.463 ( -3.972 15.376 1.314) 15.935 3.605 ( 5.648 23.097 4.896) 24.277 3.909 ( 4.861 -0.674 8.492) 9.807 4.199 ( -5.391 31.579 -5.037) 32.429 4.351 ( -2.328 17.108 2.150) 17.399 4.689 ( 2.290 18.254 0.721) 18.412 4.827 ( -1.154 3.987 3.865) 5.671 7.107 ( 1.282 -3.828 5.135) 6.532 7.296 ( -1.515 -2.001 3.825) 4.575 7.407 ( 1.506 0.489 4.474) 4.745 7.816 ( -4.191 -0.529 3.455) 5.457 8.515 ( -5.998 5.920 -2.697) 8.849 8.845 ( -6.109 7.357 1.683) 9.710 9.057 ( 13.388 9.084 -7.906) 18.007 9.363 ( 5.692 7.741 -4.083) 10.440 9.807 ( 3.628 -0.698 1.768) 4.096 10.142 ( -0.400 -3.207 -11.074) 11.536 10.308 ( -0.188 -1.236 -6.380) 6.501 10.374 ( -1.522 -13.711 -1.620) 13.890 11.585 ( -0.613 0.725 14.368) 14.400 11.915 ( -10.008 2.224 5.995) 11.877 12.252 ( 2.504 14.256 -1.927) 14.602 12.347 ( 1.267 13.086 0.563) 13.159 12.791 ( 6.946 -3.399 2.680) 8.184 13.224 ( -0.799 9.473 -18.816) 21.081 13.367 ( -2.312 -10.874 -7.997) 13.695 13.499 ( -2.223 1.728 -19.099) 19.305 15.691 ( 6.702 -2.592 16.839) 18.308 16.274 ( -7.681 -14.654 11.958) 20.414 16.384 ( 3.228 -15.664 -2.957) 16.264 16.621 ( -2.401 -16.772 0.340) 16.946 28.506 ( 2.386 13.420 2.644) 13.884 28.764 ( -4.387 12.995 -2.890) 14.017 29.016 ( 0.831 9.603 -1.475) 9.751 29.061 ( -0.547 9.741 -1.868) 9.933 31.644 ( 3.704 1.721 1.880) 4.497 31.810 ( -0.781 -1.441 0.457) 1.702 32.490 ( -0.156 -6.821 -0.643) 6.853 32.499 ( -0.301 -5.344 -0.354) 5.364 83.519 ( -0.180 -2.178 5.651) 6.059 83.551 ( 0.299 -2.049 3.765) 4.296 84.486 ( 4.534 -14.580 20.570) 25.618 84.878 ( -5.107 -32.185 29.072) 43.671 ======================= Grid point 167 (60/144) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 2.173 16.571 2.705) 16.930 1.797 ( -4.895 14.924 1.324) 15.762 2.151 ( 7.399 11.167 13.058) 18.707 2.343 ( -11.670 8.153 12.356) 18.850 3.148 ( 10.894 2.076 -3.492) 11.627 3.337 ( -8.884 4.475 -3.043) 10.402 3.759 ( 9.911 27.906 4.531) 29.958 3.930 ( -5.958 17.217 5.046) 18.905 4.158 ( 3.993 20.642 3.415) 21.300 4.271 ( -5.973 15.263 6.064) 17.475 4.743 ( 3.092 13.484 -1.119) 13.880 4.795 ( -2.315 8.172 0.451) 8.505 7.150 ( 3.317 -3.106 5.470) 7.111 7.227 ( -4.612 -2.285 5.898) 7.828 7.501 ( 7.700 0.356 2.391) 8.071 7.672 ( -9.759 1.836 2.487) 10.237 8.540 ( 6.835 5.337 0.655) 8.697 8.699 ( -8.874 6.325 1.610) 11.015 9.265 ( 9.087 12.159 -6.100) 16.359 9.391 ( -3.466 11.503 -5.255) 13.113 9.939 ( 9.487 -10.584 -1.042) 14.252 10.093 ( -5.637 -10.231 -6.120) 13.187 10.315 ( 1.144 -0.827 -8.211) 8.331 10.342 ( -1.574 -5.151 -5.970) 8.040 11.605 ( 3.452 1.427 11.952) 12.522 11.725 ( -9.080 1.972 9.053) 12.973 12.303 ( 2.657 14.269 0.027) 14.514 12.344 ( -1.484 13.891 0.782) 13.992 12.958 ( 9.992 -5.660 -1.659) 11.603 13.136 ( -8.206 -4.186 -7.322) 11.767 13.375 ( 2.897 1.724 -17.078) 17.408 13.442 ( -3.654 2.493 -18.819) 19.332 15.864 ( 11.145 -5.315 16.248) 20.407 16.085 ( -11.745 -9.802 14.856) 21.324 16.464 ( 4.943 -16.120 -2.933) 17.114 16.555 ( -4.428 -16.706 -1.422) 17.341 28.571 ( 4.450 13.633 1.609) 14.431 28.666 ( -5.546 13.577 -0.323) 14.669 29.033 ( 0.866 9.604 -1.745) 9.800 29.048 ( -0.763 9.680 -1.803) 9.876 31.721 ( 4.037 -0.179 0.511) 4.073 31.782 ( -2.305 -1.212 0.144) 2.609 32.488 ( 0.055 -6.195 -0.466) 6.213 32.493 ( -0.344 -5.782 -0.351) 5.803 83.526 ( 0.909 -1.406 4.717) 5.006 83.545 ( -0.870 -1.633 3.943) 4.356 84.603 ( 7.561 -19.999 22.901) 31.331 84.752 ( -7.872 -26.536 26.075) 38.027 ======================= Grid point 170 (61/144) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 12.095 2.617) 12.375 2.203 ( 0.000 20.238 3.027) 20.463 2.422 ( 0.000 11.598 1.776) 11.734 2.752 ( 0.000 0.413 -6.455) 6.468 2.824 ( 0.000 2.110 6.697) 7.021 3.579 ( 0.000 -3.182 -2.179) 3.856 3.729 ( 0.000 -7.711 10.088) 12.698 4.015 ( 0.000 11.185 3.519) 11.725 4.673 ( 0.000 16.086 4.554) 16.718 4.864 ( 0.000 27.414 -5.302) 27.922 5.085 ( 0.000 19.669 -1.933) 19.764 5.118 ( 0.000 22.219 -2.118) 22.320 6.998 ( 0.000 -4.249 5.412) 6.880 7.239 ( 0.000 -2.352 1.030) 2.568 7.546 ( 0.000 9.114 -0.542) 9.130 7.763 ( 0.000 -3.671 5.362) 6.498 8.719 ( 0.000 -5.073 -5.153) 7.231 8.896 ( 0.000 6.383 -6.773) 9.307 9.065 ( 0.000 6.467 0.604) 6.495 9.497 ( 0.000 10.783 -1.569) 10.897 9.866 ( 0.000 3.761 -1.443) 4.028 9.935 ( 0.000 -14.241 -2.189) 14.409 10.256 ( 0.000 -3.924 -2.830) 4.838 10.269 ( 0.000 -0.528 -7.273) 7.292 11.612 ( 0.000 1.148 14.911) 14.955 12.083 ( 0.000 3.068 5.728) 6.498 12.467 ( 0.000 3.804 0.367) 3.821 12.563 ( 0.000 13.959 -0.020) 13.959 12.748 ( 0.000 4.373 3.090) 5.355 13.093 ( 0.000 -12.688 -3.696) 13.215 13.416 ( 0.000 3.939 -16.221) 16.692 13.541 ( 0.000 2.017 -16.455) 16.578 15.586 ( 0.000 -2.225 10.659) 10.889 16.047 ( 0.000 -12.799 8.401) 15.309 16.049 ( 0.000 -13.647 -2.895) 13.950 16.304 ( 0.000 -16.179 1.208) 16.224 28.758 ( 0.000 13.301 2.287) 13.496 29.047 ( 0.000 10.675 -2.802) 11.037 29.200 ( 0.000 9.002 -0.500) 9.016 29.252 ( 0.000 8.103 -0.561) 8.122 31.675 ( 0.000 3.994 1.574) 4.293 31.800 ( 0.000 -0.053 0.301) 0.306 32.340 ( 0.000 -7.469 -0.610) 7.493 32.390 ( 0.000 -5.872 -0.537) 5.897 83.477 ( 0.000 -1.004 3.815) 3.945 83.520 ( 0.000 -1.016 2.086) 2.320 84.201 ( 0.000 -11.032 13.949) 17.784 84.361 ( 0.000 -22.090 19.064) 29.179 ======================= Grid point 171 (62/144) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 1.514 12.957 1.567) 13.139 2.195 ( -1.106 19.404 2.770) 19.632 2.377 ( -3.170 12.493 3.089) 13.254 2.642 ( -7.320 3.436 3.990) 9.017 2.958 ( 9.557 -0.009 -2.303) 9.830 3.509 ( -6.898 -2.757 -3.154) 8.071 3.805 ( 7.389 -7.499 10.490) 14.862 4.048 ( 2.533 7.162 4.111) 8.638 4.657 ( -1.278 18.541 4.506) 19.123 4.817 ( -4.531 28.120 -4.879) 28.897 5.093 ( 0.883 19.839 -0.801) 19.875 5.129 ( 0.709 21.690 -4.090) 22.083 7.021 ( 2.462 -3.649 5.131) 6.761 7.275 ( 2.395 -0.822 0.958) 2.707 7.445 ( -6.046 2.915 2.047) 7.017 7.798 ( -0.759 -0.489 2.504) 2.662 8.592 ( -3.846 1.954 -3.307) 5.435 8.988 ( -6.163 7.022 -0.160) 9.344 9.125 ( 14.314 -0.008 -7.718) 16.262 9.556 ( 4.729 10.316 -1.962) 11.516 9.812 ( -3.601 -3.838 -1.575) 5.493 9.960 ( 0.608 -6.162 -0.508) 6.213 10.259 ( 0.737 -3.660 -4.120) 5.559 10.286 ( 1.352 -0.635 -7.129) 7.284 11.610 ( 0.263 1.645 14.101) 14.199 11.970 ( -9.910 3.225 7.109) 12.616 12.532 ( 4.972 5.576 -1.173) 7.562 12.578 ( 1.409 12.214 1.001) 12.335 12.757 ( 1.323 2.410 3.091) 4.137 13.049 ( -4.433 -11.869 -3.019) 13.024 13.427 ( 1.046 3.474 -16.329) 16.727 13.526 ( -1.509 2.097 -16.482) 16.683 15.634 ( 4.932 -2.939 10.443) 11.917 16.005 ( -4.125 -11.468 8.287) 14.738 16.079 ( 2.738 -13.977 -2.241) 14.418 16.282 ( -2.307 -15.979 0.793) 16.164 28.781 ( 2.404 13.236 2.029) 13.605 29.013 ( -3.415 11.289 -1.878) 11.943 29.207 ( 0.590 8.709 -0.725) 8.759 29.247 ( -0.491 8.191 -0.635) 8.230 31.695 ( 1.972 3.273 1.185) 4.000 31.795 ( -0.579 0.089 0.231) 0.630 32.344 ( 0.358 -7.273 -0.573) 7.305 32.384 ( -0.620 -5.981 -0.507) 6.034 83.486 ( 0.901 -0.684 3.514) 3.692 83.524 ( 0.261 -0.927 2.055) 2.270 84.210 ( 1.033 -12.276 14.485) 19.015 84.341 ( -2.015 -21.220 18.528) 28.242 ======================= Grid point 172 (63/144) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.510 15.602 0.305) 15.995 2.135 ( -5.015 17.652 0.374) 18.355 2.383 ( 4.238 11.493 7.416) 14.319 2.501 ( -7.491 7.528 7.380) 12.932 3.151 ( 10.648 -1.355 -3.988) 11.451 3.346 ( -9.939 -2.119 -3.874) 10.876 3.961 ( 7.934 -6.652 9.444) 14.014 4.061 ( -2.132 -1.581 6.652) 7.162 4.652 ( 1.519 25.176 2.069) 25.307 4.720 ( -5.164 28.654 -2.228) 29.200 5.115 ( 1.268 20.185 -2.328) 20.359 5.132 ( -0.438 20.845 -4.294) 21.287 7.093 ( 5.269 -1.923 4.397) 7.127 7.213 ( -7.076 0.726 3.070) 7.748 7.488 ( 8.933 -1.576 1.441) 9.185 7.682 ( -10.114 -0.556 1.029) 10.182 8.648 ( 8.198 5.407 -1.434) 9.925 8.829 ( -9.928 6.686 -0.758) 11.993 9.380 ( 12.078 -0.632 -8.128) 14.572 9.560 ( -6.094 3.520 -6.615) 9.658 9.819 ( 5.208 -2.026 1.934) 5.914 9.924 ( -4.412 -1.993 1.526) 5.076 10.287 ( 1.788 -2.640 -5.993) 6.788 10.304 ( 0.157 -1.283 -7.092) 7.209 11.646 ( 4.201 2.521 12.149) 13.100 11.777 ( -9.483 3.074 9.629) 13.860 12.596 ( 1.636 12.149 -1.131) 12.311 12.605 ( 0.835 8.804 1.215) 8.926 12.819 ( 5.446 -4.654 1.564) 7.332 12.940 ( -6.736 -9.548 -1.153) 11.742 13.453 ( 1.773 2.740 -16.478) 16.798 13.490 ( -2.071 2.312 -16.517) 16.806 15.756 ( 7.561 -5.089 9.878) 13.440 15.897 ( -7.054 -8.337 9.149) 14.247 16.146 ( 4.110 -14.704 -1.583) 15.350 16.223 ( -3.861 -15.452 -0.309) 15.930 28.844 ( 4.248 12.958 1.215) 13.691 28.932 ( -4.831 12.295 -0.184) 13.212 29.220 ( 0.797 8.403 -0.877) 8.486 29.235 ( -0.762 8.298 -0.790) 8.370 31.738 ( 2.373 1.807 0.505) 3.025 31.776 ( -1.526 0.645 0.186) 1.667 32.354 ( 0.712 -6.803 -0.498) 6.858 32.369 ( -0.877 -6.309 -0.469) 6.387 83.507 ( 1.167 -0.337 2.827) 3.077 83.523 ( -0.460 -0.546 2.225) 2.337 84.242 ( 2.313 -15.378 15.757) 22.138 84.292 ( -2.909 -18.787 17.240) 25.664 ======================= Grid point 175 (64/144) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 11.944 -1.841) 12.085 2.588 ( 0.000 15.714 1.299) 15.768 2.650 ( 0.000 9.758 0.967) 9.806 2.771 ( 0.000 3.105 -6.319) 7.041 2.874 ( 0.000 3.728 2.045) 4.252 3.448 ( 0.000 -9.599 -6.389) 11.531 3.562 ( 0.000 -8.085 10.452) 13.214 3.981 ( 0.000 -9.650 3.262) 10.187 5.091 ( 0.000 21.221 2.048) 21.319 5.342 ( 0.000 18.829 -3.861) 19.221 5.480 ( 0.000 17.175 -4.138) 17.666 5.517 ( 0.000 16.224 -4.741) 16.902 6.948 ( 0.000 -0.484 2.986) 3.025 7.191 ( 0.000 -2.611 0.563) 2.671 7.714 ( 0.000 -0.747 5.205) 5.258 7.742 ( 0.000 8.773 -4.664) 9.936 8.631 ( 0.000 -2.140 -3.669) 4.247 8.990 ( 0.000 2.536 -10.225) 10.534 9.199 ( 0.000 6.622 -2.516) 7.084 9.637 ( 0.000 -3.485 3.084) 4.653 9.739 ( 0.000 1.518 -5.333) 5.545 9.919 ( 0.000 1.582 -1.413) 2.121 10.154 ( 0.000 -5.861 -0.632) 5.895 10.234 ( 0.000 -3.221 -6.081) 6.881 11.653 ( 0.000 3.354 12.626) 13.064 12.152 ( 0.000 3.602 7.551) 8.366 12.434 ( 0.000 -4.371 5.984) 7.410 12.608 ( 0.000 -12.936 2.015) 13.092 12.915 ( 0.000 14.090 -2.359) 14.286 13.072 ( 0.000 8.868 -1.600) 9.012 13.416 ( 0.000 -1.867 -12.008) 12.152 13.595 ( 0.000 1.574 -10.659) 10.775 15.543 ( 0.000 -1.716 5.628) 5.884 15.800 ( 0.000 -10.482 -1.845) 10.643 15.835 ( 0.000 -8.142 5.879) 10.043 16.003 ( 0.000 -12.892 1.416) 12.970 29.013 ( 0.000 11.529 1.768) 11.664 29.239 ( 0.000 7.896 -1.614) 8.059 29.362 ( 0.000 6.583 0.022) 6.583 29.386 ( 0.000 4.977 0.570) 5.010 31.767 ( 0.000 5.036 0.468) 5.058 31.816 ( 0.000 1.608 -0.189) 1.619 32.192 ( 0.000 -6.953 -0.634) 6.982 32.265 ( 0.000 -6.296 -0.672) 6.332 83.479 ( 0.000 0.973 2.043) 2.263 83.503 ( 0.000 -0.587 1.311) 1.436 83.999 ( 0.000 -8.701 8.821) 12.390 84.002 ( 0.000 -13.449 10.399) 17.001 ======================= Grid point 176 (65/144) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.385 12.744 -1.813) 13.310 2.579 ( -1.285 16.920 1.806) 17.064 2.625 ( -2.490 11.430 0.295) 11.702 2.714 ( -3.685 4.636 -0.719) 5.966 2.955 ( 6.786 0.170 -2.733) 7.318 3.408 ( -4.995 -6.862 -5.306) 10.009 3.612 ( 5.889 -10.777 9.104) 15.288 3.966 ( -1.986 -10.717 4.128) 11.655 5.107 ( 1.762 21.765 1.194) 21.869 5.317 ( -2.860 20.283 -4.507) 20.973 5.473 ( 0.074 15.927 -2.676) 16.151 5.525 ( 0.198 16.180 -5.301) 17.028 6.981 ( 3.600 -0.051 2.927) 4.640 7.246 ( 5.547 -2.229 0.292) 5.985 7.508 ( -12.215 3.297 1.845) 12.786 7.806 ( -2.794 0.628 -0.855) 2.989 8.632 ( 3.211 3.222 -4.453) 6.365 9.116 ( 10.055 0.030 -9.135) 13.585 9.137 ( -5.592 6.628 -3.525) 9.361 9.638 ( -3.760 -8.556 -2.248) 9.612 9.742 ( 4.304 7.285 -0.691) 8.489 9.955 ( 2.261 1.439 -0.002) 2.680 10.162 ( 1.281 -5.648 -1.703) 6.036 10.248 ( 1.014 -3.323 -5.692) 6.668 11.661 ( 1.091 3.683 12.324) 12.909 12.045 ( -9.608 4.043 8.457) 13.423 12.472 ( 2.882 -6.489 5.386) 8.911 12.595 ( -1.269 -12.897 2.318) 13.165 12.927 ( 1.202 13.816 -2.153) 14.034 13.051 ( -2.076 9.646 -1.561) 9.990 13.430 ( 1.513 -1.460 -11.888) 12.072 13.575 ( -2.036 1.292 -10.779) 11.045 15.578 ( 3.569 -2.272 5.548) 6.978 15.806 ( -1.200 -8.534 3.195) 9.191 15.831 ( 1.251 -9.617 1.011) 9.751 15.988 ( -1.691 -12.519 1.210) 12.691 29.034 ( 2.139 11.375 1.597) 11.684 29.219 ( -2.171 8.710 -1.060) 9.039 29.358 ( -0.136 5.825 0.071) 5.827 29.385 ( -0.275 5.249 0.275) 5.263 31.775 ( 0.806 4.569 0.317) 4.650 31.814 ( -0.168 1.815 -0.199) 1.834 32.199 ( 0.650 -6.869 -0.627) 6.928 32.258 ( -0.789 -6.337 -0.659) 6.419 83.491 ( 1.169 1.025 1.897) 2.452 83.512 ( 0.820 -0.141 1.203) 1.463 83.987 ( -1.007 -10.690 9.693) 14.465 83.995 ( -0.850 -12.005 9.683) 15.447 ======================= Grid point 177 (66/144) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 6.496 14.807 -1.567) 16.245 2.493 ( -7.012 16.797 -0.921) 18.225 2.616 ( 1.317 11.337 2.829) 11.759 2.655 ( -2.673 7.900 2.289) 8.649 3.105 ( 8.946 -2.844 -4.410) 10.372 3.274 ( -8.631 -4.658 -4.469) 10.778 3.756 ( 8.341 -12.452 7.284) 16.664 3.894 ( -5.818 -12.256 5.833) 14.767 5.160 ( 3.844 22.399 -0.993) 22.748 5.242 ( -4.630 21.950 -3.428) 22.693 5.490 ( 1.429 15.250 -3.176) 15.643 5.516 ( -1.111 15.609 -4.687) 16.335 7.085 ( 7.474 1.240 2.678) 8.036 7.253 ( -9.494 3.135 1.802) 10.159 7.437 ( 9.339 -3.458 0.510) 9.972 7.651 ( -11.647 -2.575 -0.560) 11.941 8.774 ( 10.549 7.307 -4.760) 13.686 8.977 ( -10.248 7.853 -4.436) 13.652 9.327 ( 10.912 -3.258 -8.314) 14.100 9.512 ( -8.642 -5.126 -6.751) 12.105 9.863 ( 6.679 4.162 2.314) 8.203 9.955 ( -2.663 2.504 1.879) 4.110 10.209 ( 3.193 -4.831 -3.597) 6.817 10.252 ( -0.991 -3.835 -4.920) 6.316 11.712 ( 4.959 4.286 11.451) 13.195 11.853 ( -9.689 4.477 10.051) 14.661 12.522 ( 2.363 -10.231 4.340) 11.362 12.563 ( -2.057 -12.395 3.189) 12.962 12.958 ( 2.112 12.970 -1.791) 13.262 13.004 ( -2.679 11.406 -1.573) 11.822 13.470 ( 2.686 -0.502 -11.533) 11.852 13.525 ( -2.996 0.529 -11.101) 11.510 15.663 ( 5.002 -3.825 5.386) 8.287 15.751 ( -4.077 -5.928 5.279) 8.923 15.881 ( 3.290 -10.988 -0.416) 11.478 15.942 ( -3.037 -11.736 0.529) 12.134 29.089 ( 3.612 10.883 1.056) 11.515 29.161 ( -3.741 9.995 0.107) 10.673 29.362 ( 0.563 5.271 -0.057) 5.301 29.375 ( -0.705 5.283 -0.005) 5.330 31.793 ( 0.962 3.504 0.024) 3.634 31.808 ( -0.569 2.464 -0.163) 2.534 32.216 ( 1.125 -6.670 -0.620) 6.792 32.238 ( -1.212 -6.466 -0.632) 6.608 83.515 ( 1.112 1.112 1.487) 2.165 83.524 ( 0.199 0.732 1.147) 1.375 83.971 ( -0.389 -11.727 9.951) 15.385 83.976 ( -0.840 -12.003 9.731) 15.475 ======================= Grid point 180 (67/144) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.000 10.802 -3.579) 11.379 2.694 ( 0.000 -0.913 -4.968) 5.052 2.795 ( 0.000 5.587 -1.287) 5.733 3.009 ( 0.000 8.945 -1.062) 9.008 3.019 ( 0.000 15.971 -0.370) 15.975 3.213 ( 0.000 -12.122 -5.237) 13.205 3.401 ( 0.000 -7.722 5.219) 9.320 3.723 ( 0.000 -14.628 2.958) 14.924 5.455 ( 0.000 13.766 -0.656) 13.781 5.611 ( 0.000 7.231 -2.471) 7.641 5.752 ( 0.000 9.223 -4.759) 10.379 5.767 ( 0.000 8.246 -5.914) 10.147 6.975 ( 0.000 2.829 0.521) 2.876 7.127 ( 0.000 -3.641 -0.213) 3.647 7.738 ( 0.000 2.885 3.601) 4.615 7.849 ( 0.000 1.115 -3.074) 3.270 8.676 ( 0.000 6.615 -7.203) 9.780 8.985 ( 0.000 -3.428 -12.574) 13.033 9.326 ( 0.000 5.620 -5.035) 7.546 9.512 ( 0.000 -5.200 -1.090) 5.313 9.835 ( 0.000 4.194 -2.178) 4.726 9.943 ( 0.000 0.648 -0.900) 1.109 10.039 ( 0.000 -4.236 1.086) 4.373 10.145 ( 0.000 -5.104 -3.447) 6.159 11.765 ( 0.000 7.916 9.821) 12.614 12.225 ( 0.000 3.532 8.663) 9.356 12.259 ( 0.000 -13.916 4.569) 14.647 12.387 ( 0.000 -5.661 7.463) 9.368 13.156 ( 0.000 8.922 -3.899) 9.737 13.289 ( 0.000 10.968 -0.658) 10.988 13.369 ( 0.000 -2.779 -8.516) 8.958 13.582 ( 0.000 -2.819 -5.339) 6.038 15.524 ( 0.000 -0.055 2.304) 2.304 15.629 ( 0.000 -6.237 -0.905) 6.302 15.713 ( 0.000 -3.744 4.226) 5.646 15.792 ( 0.000 -7.715 1.985) 7.967 29.218 ( 0.000 8.294 1.312) 8.397 29.353 ( 0.000 2.830 -0.581) 2.889 29.458 ( 0.000 2.345 1.048) 2.568 29.462 ( 0.000 3.122 0.374) 3.144 31.865 ( 0.000 3.209 -0.620) 3.268 31.878 ( 0.000 5.709 -0.384) 5.722 32.061 ( 0.000 -5.872 -0.628) 5.906 32.136 ( 0.000 -6.383 -0.700) 6.421 83.499 ( 0.000 0.268 1.195) 1.225 83.505 ( 0.000 1.124 1.790) 2.114 83.805 ( 0.000 -5.826 4.706) 7.489 83.849 ( 0.000 -5.947 4.859) 7.679 ======================= Grid point 181 (68/144) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 4.845 11.429 -3.532) 12.906 2.731 ( 3.161 1.082 -4.574) 5.664 2.804 ( 0.905 6.756 -1.209) 6.923 2.974 ( -4.472 13.819 -1.238) 14.578 3.010 ( 0.487 8.009 -1.162) 8.108 3.233 ( 0.355 -9.604 -5.591) 11.118 3.394 ( 0.834 -9.936 6.362) 11.828 3.695 ( -3.089 -15.000 3.389) 15.685 5.475 ( 2.145 13.838 -1.228) 14.057 5.619 ( 0.511 8.614 -3.244) 9.219 5.721 ( -2.151 8.690 -4.254) 9.911 5.769 ( -0.566 7.583 -5.494) 9.381 7.015 ( 4.385 3.146 0.708) 5.443 7.182 ( 5.792 -3.931 -0.268) 7.006 7.590 ( -12.294 4.818 1.847) 13.333 7.786 ( -8.212 -2.917 -1.295) 8.810 8.754 ( 8.131 8.526 -7.880) 14.174 9.076 ( 8.395 -4.077 -11.492) 14.804 9.280 ( -4.913 6.643 -6.123) 10.284 9.500 ( -2.173 -5.292 -3.968) 6.963 9.854 ( 2.766 4.032 -0.022) 4.889 9.982 ( 3.164 0.847 -0.250) 3.285 10.047 ( 1.086 -4.521 0.733) 4.707 10.159 ( 0.950 -5.002 -3.101) 5.962 11.776 ( 1.400 7.911 9.934) 12.775 12.134 ( -8.147 4.551 9.006) 12.969 12.264 ( 0.210 -13.842 4.974) 14.710 12.371 ( -1.913 -7.242 7.196) 10.387 13.166 ( 1.099 9.133 -3.570) 9.867 13.272 ( -1.644 10.786 -0.990) 10.955 13.388 ( 1.978 -2.723 -8.159) 8.826 13.560 ( -2.317 -2.817 -5.644) 6.720 15.550 ( 2.560 -0.424 2.402) 3.536 15.648 ( 1.882 -6.085 -0.494) 6.388 15.703 ( -1.016 -3.567 3.853) 5.348 15.782 ( -1.028 -7.470 1.808) 7.754 29.235 ( 1.769 8.120 1.234) 8.401 29.354 ( -0.164 3.970 -0.466) 4.000 29.437 ( -1.346 2.280 0.981) 2.824 29.462 ( -0.485 2.289 0.450) 2.383 31.868 ( 0.290 3.413 -0.600) 3.477 31.878 ( 0.056 5.455 -0.399) 5.470 32.067 ( 0.679 -5.947 -0.666) 6.023 32.128 ( -0.789 -6.338 -0.714) 6.427 83.513 ( 1.550 0.970 1.350) 2.272 83.526 ( 1.922 1.344 1.484) 2.775 83.790 ( -1.445 -6.380 4.808) 8.118 83.829 ( -1.962 -6.338 4.881) 8.237 ======================= Grid point 182 (69/144) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 7.686 12.115 -3.667) 14.808 2.757 ( -2.477 8.352 -3.617) 9.432 2.825 ( 1.516 8.554 -1.902) 8.893 2.875 ( -4.533 12.436 -0.061) 13.237 3.058 ( 4.942 0.213 -2.626) 5.600 3.172 ( -5.993 -4.392 -3.682) 8.292 3.477 ( 6.923 -14.374 5.066) 16.739 3.607 ( -6.211 -15.329 4.173) 17.058 5.531 ( 3.675 13.783 -2.629) 14.505 5.600 ( -3.007 12.843 -4.057) 13.800 5.709 ( 1.246 5.994 -3.521) 7.062 5.744 ( -1.955 6.498 -4.683) 8.245 7.141 ( 8.964 4.047 1.055) 9.891 7.326 ( 0.709 0.712 -0.156) 1.017 7.363 ( -2.378 -0.472 1.099) 2.662 7.574 ( -12.948 -4.917 -0.729) 13.870 8.946 ( 11.255 9.174 -8.194) 16.672 9.144 ( -9.330 8.214 -7.636) 14.589 9.252 ( 9.514 -4.569 -9.982) 14.527 9.412 ( -7.056 -4.843 -7.936) 11.671 9.935 ( 4.898 3.012 2.000) 6.088 10.002 ( -1.598 2.311 1.660) 3.264 10.101 ( 4.063 -5.408 -1.068) 6.848 10.158 ( -1.530 -5.035 -2.282) 5.736 11.832 ( 4.959 7.648 10.090) 13.597 11.965 ( -8.831 6.596 9.813) 14.758 12.277 ( 1.469 -13.090 5.704) 14.355 12.321 ( -2.961 -10.531 6.563) 12.757 13.195 ( 1.881 9.687 -2.762) 10.247 13.234 ( -2.219 10.332 -1.795) 10.719 13.439 ( 3.240 -2.736 -7.341) 8.478 13.503 ( -3.463 -2.792 -6.406) 7.799 15.608 ( 3.318 -1.357 2.674) 4.473 15.661 ( -1.968 -2.664 2.771) 4.318 15.704 ( 2.371 -6.275 0.794) 6.754 15.751 ( -2.258 -6.926 1.257) 7.392 29.280 ( 2.855 7.617 0.959) 8.190 29.332 ( -2.327 6.594 0.313) 7.000 29.427 ( 0.497 1.035 0.617) 1.304 29.446 ( -1.165 1.523 0.386) 1.956 31.874 ( 0.314 3.993 -0.538) 4.042 31.878 ( -0.101 4.785 -0.456) 4.808 32.085 ( 1.172 -6.094 -0.725) 6.248 32.108 ( -1.239 -6.230 -0.738) 6.395 83.549 ( 1.767 2.228 1.194) 3.084 83.559 ( 0.951 2.619 1.133) 3.008 83.767 ( -0.464 -7.798 5.109) 9.334 83.786 ( -2.214 -7.488 5.044) 9.296 ======================= Grid point 185 (70/144) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 0.000 -5.010 -4.080) 6.461 2.638 ( 0.000 5.010 -4.080) 6.461 2.952 ( 0.000 -10.597 -4.575) 11.542 2.952 ( 0.000 10.597 -4.575) 11.542 3.189 ( 0.000 -7.205 -1.192) 7.303 3.189 ( 0.000 7.205 -1.192) 7.303 3.412 ( 0.000 -14.576 3.432) 14.975 3.412 ( 0.000 14.576 3.432) 14.975 5.640 ( 0.000 -4.143 -1.877) 4.548 5.640 ( 0.000 4.143 -1.877) 4.548 5.850 ( 0.000 -0.307 -5.452) 5.460 5.850 ( 0.000 0.307 -5.452) 5.460 7.048 ( 0.000 -3.988 -0.547) 4.025 7.048 ( 0.000 3.988 -0.547) 4.025 7.812 ( 0.000 -3.667 0.817) 3.757 7.812 ( 0.000 3.667 0.817) 3.757 8.852 ( 0.000 -8.913 -11.606) 14.633 8.852 ( 0.000 8.913 -11.606) 14.633 9.424 ( 0.000 -4.096 -4.484) 6.074 9.424 ( 0.000 4.096 -4.484) 6.074 9.906 ( 0.000 -3.196 -0.421) 3.224 9.906 ( 0.000 3.196 -0.421) 3.224 10.047 ( 0.000 -3.907 -0.680) 3.966 10.047 ( 0.000 3.907 -0.680) 3.966 11.977 ( 0.000 -12.603 6.958) 14.396 11.977 ( 0.000 12.603 6.958) 14.396 12.298 ( 0.000 -3.739 8.699) 9.468 12.298 ( 0.000 3.739 8.699) 9.468 13.293 ( 0.000 -4.942 -5.627) 7.489 13.293 ( 0.000 4.942 -5.627) 7.489 13.480 ( 0.000 -7.302 -1.998) 7.570 13.480 ( 0.000 7.302 -1.998) 7.570 15.544 ( 0.000 -2.263 0.343) 2.289 15.544 ( 0.000 2.263 0.343) 2.289 15.693 ( 0.000 -1.923 2.924) 3.500 15.693 ( 0.000 1.923 2.924) 3.500 29.342 ( 0.000 -3.666 0.655) 3.724 29.342 ( 0.000 3.666 0.655) 3.724 29.489 ( 0.000 -0.374 0.652) 0.752 29.489 ( 0.000 0.374 0.652) 0.752 31.942 ( 0.000 -3.741 -1.076) 3.893 31.942 ( 0.000 3.741 -1.076) 3.893 32.010 ( 0.000 -5.291 -0.328) 5.301 32.010 ( 0.000 5.291 -0.328) 5.301 83.510 ( 0.000 -0.509 1.782) 1.853 83.510 ( 0.000 0.509 1.782) 1.853 83.766 ( 0.000 -1.662 2.812) 3.266 83.766 ( 0.000 1.662 2.812) 3.266 ======================= Grid point 187 (71/144) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 5.428 -5.057 -4.400) 8.625 2.692 ( 5.428 5.057 -4.400) 8.625 2.967 ( 0.874 -9.767 -5.060) 11.035 2.967 ( 0.874 9.767 -5.060) 11.035 3.174 ( -0.974 -6.982 -0.175) 7.052 3.174 ( -0.974 6.982 -0.175) 7.052 3.378 ( -3.501 -14.817 3.527) 15.629 3.378 ( -3.501 14.817 3.527) 15.629 5.660 ( 2.094 -4.023 -2.314) 5.092 5.660 ( 2.094 4.023 -2.314) 5.092 5.831 ( -1.998 -1.512 -5.213) 5.784 5.831 ( -1.998 1.512 -5.213) 5.784 7.095 ( 5.090 -4.351 -0.368) 6.706 7.095 ( 5.090 4.351 -0.368) 6.706 7.697 ( -10.904 -5.288 0.479) 12.128 7.697 ( -10.904 5.288 0.479) 12.128 8.942 ( 8.504 -8.757 -11.113) 16.507 8.942 ( 8.504 8.757 -11.113) 16.507 9.400 ( -3.025 -5.094 -6.367) 8.697 9.400 ( -3.025 5.094 -6.367) 8.697 9.929 ( 2.728 -3.814 0.566) 4.723 9.929 ( 2.728 3.814 0.566) 4.723 10.063 ( 1.116 -3.967 -0.430) 4.143 10.063 ( 1.116 3.967 -0.430) 4.143 11.984 ( 0.974 -12.260 7.289) 14.296 11.984 ( 0.974 12.260 7.289) 14.296 12.243 ( -5.421 -5.646 8.741) 11.733 12.243 ( -5.421 5.647 8.741) 11.733 13.309 ( 1.674 -5.190 -5.262) 7.578 13.309 ( 1.674 5.190 -5.262) 7.578 13.459 ( -2.094 -7.103 -2.383) 7.779 13.459 ( -2.094 7.103 -2.383) 7.779 15.566 ( 2.116 -2.171 0.596) 3.090 15.566 ( 2.116 2.171 0.596) 3.090 15.685 ( -0.811 -1.972 2.666) 3.414 15.685 ( -0.811 1.972 2.666) 3.414 29.356 ( 1.399 -3.452 0.660) 3.783 29.356 ( 1.399 3.452 0.660) 3.783 29.474 ( -1.482 -1.054 0.659) 1.934 29.474 ( -1.482 1.054 0.659) 1.934 31.949 ( 0.710 -3.864 -1.010) 4.056 31.949 ( 0.710 3.864 -1.010) 4.056 32.004 ( -0.628 -5.118 -0.406) 5.172 32.004 ( -0.628 5.118 -0.406) 5.172 83.535 ( 2.531 -0.764 1.878) 3.243 83.535 ( 2.531 0.764 1.878) 3.243 83.742 ( -2.509 -1.615 2.711) 4.031 83.742 ( -2.509 1.615 2.711) 4.031 ======================= Grid point 189 (72/144) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 7.410 -4.506 -5.250) 10.138 2.819 ( 7.410 4.506 -5.250) 10.138 2.939 ( -4.514 -4.995 -5.993) 9.014 2.939 ( -4.514 4.995 -5.993) 9.014 3.195 ( 3.727 -11.101 2.281) 11.930 3.195 ( 3.727 11.101 2.281) 11.930 3.290 ( -5.507 -14.472 3.346) 15.842 3.290 ( -5.507 14.472 3.346) 15.842 5.713 ( 3.414 -3.584 -3.366) 5.986 5.713 ( 3.414 3.584 -3.366) 5.986 5.779 ( -3.361 -2.736 -4.479) 6.232 5.779 ( -3.361 2.736 -4.479) 6.232 7.238 ( 10.063 -5.205 -0.040) 11.330 7.238 ( 10.063 5.205 -0.040) 11.330 7.460 ( -13.118 -5.874 0.185) 14.374 7.460 ( -13.118 5.874 0.185) 14.374 9.126 ( 10.184 -7.852 -10.330) 16.495 9.126 ( 10.184 7.852 -10.330) 16.495 9.298 ( -7.713 -6.580 -9.007) 13.561 9.298 ( -7.713 6.580 -9.007) 13.561 10.003 ( 4.414 -3.983 1.088) 6.045 10.003 ( 4.414 3.983 1.088) 6.045 10.063 ( -1.571 -3.921 0.316) 4.236 10.063 ( -1.571 3.921 0.316) 4.236 12.025 ( 3.693 -11.049 8.058) 14.165 12.025 ( 3.693 11.049 8.058) 14.165 12.124 ( -6.502 -8.710 8.644) 13.887 12.124 ( -6.502 8.710 8.644) 13.887 13.352 ( 2.781 -5.819 -4.383) 7.798 13.352 ( 2.781 5.819 -4.383) 7.798 13.408 ( -3.053 -6.552 -3.315) 7.952 13.408 ( -3.053 6.552 -3.315) 7.952 15.614 ( 2.760 -2.031 1.236) 3.643 15.614 ( 2.760 2.031 1.236) 3.643 15.660 ( -1.964 -2.002 2.015) 3.454 15.660 ( -1.964 2.002 2.015) 3.454 29.392 ( 2.304 -2.856 0.670) 3.730 29.392 ( 2.304 2.856 0.670) 3.730 29.437 ( -2.355 -1.999 0.669) 3.161 29.437 ( -2.355 1.999 0.669) 3.161 31.967 ( 1.109 -4.210 -0.833) 4.433 31.967 ( 1.109 4.210 -0.833) 4.433 31.988 ( -1.058 -4.690 -0.603) 4.845 31.988 ( -1.058 4.690 -0.603) 4.845 83.599 ( 4.084 -1.160 2.130) 4.750 83.599 ( 4.084 1.160 2.130) 4.750 83.678 ( -4.071 -1.455 2.448) 4.968 83.678 ( -4.071 1.455 2.448) 4.968 ======================= Grid point 225 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 0.000 13.960) 13.960 1.347 ( 0.000 0.000 18.691) 18.691 1.868 ( 0.000 0.000 -0.222) 0.222 2.285 ( 0.000 0.000 7.525) 7.525 2.296 ( 0.000 0.000 -5.575) 5.575 2.469 ( 0.000 0.000 24.642) 24.642 2.793 ( 0.000 0.000 -3.979) 3.979 2.954 ( 0.000 0.000 -0.734) 0.734 3.740 ( 0.000 0.000 3.278) 3.278 3.992 ( 0.000 0.000 -0.612) 0.612 4.657 ( 0.000 0.000 16.443) 16.443 5.088 ( 0.000 0.000 6.927) 6.927 7.211 ( 0.000 0.000 2.975) 2.975 7.352 ( 0.000 0.000 8.975) 8.975 7.446 ( 0.000 0.000 -1.900) 1.900 7.759 ( 0.000 0.000 -4.640) 4.640 8.207 ( 0.000 0.000 1.437) 1.437 8.357 ( 0.000 0.000 -1.918) 1.918 8.407 ( 0.000 0.000 2.744) 2.744 8.629 ( 0.000 0.000 -5.654) 5.654 9.981 ( 0.000 0.000 0.116) 0.116 10.203 ( 0.000 0.000 -10.660) 10.660 10.250 ( 0.000 0.000 3.123) 3.123 11.304 ( 0.000 0.000 -21.406) 21.406 11.777 ( 0.000 0.000 2.128) 2.128 11.862 ( 0.000 0.000 2.454) 2.454 11.907 ( 0.000 0.000 -0.695) 0.695 12.029 ( 0.000 0.000 -1.133) 1.133 12.260 ( 0.000 0.000 14.485) 14.485 12.654 ( 0.000 0.000 1.164) 1.164 12.781 ( 0.000 0.000 -0.876) 0.876 13.725 ( 0.000 0.000 -14.856) 14.856 16.175 ( 0.000 0.000 20.041) 20.041 16.777 ( 0.000 0.000 -3.819) 3.819 17.292 ( 0.000 0.000 1.693) 1.693 17.452 ( 0.000 0.000 -1.915) 1.915 28.085 ( 0.000 0.000 5.876) 5.876 28.130 ( 0.000 0.000 4.740) 4.740 28.582 ( 0.000 0.000 -3.723) 3.723 28.585 ( 0.000 0.000 -4.989) 4.989 31.638 ( 0.000 0.000 6.296) 6.296 31.922 ( 0.000 0.000 0.541) 0.541 32.669 ( 0.000 0.000 -0.183) 0.183 32.732 ( 0.000 0.000 -1.401) 1.401 83.743 ( 0.000 0.000 10.449) 10.449 84.036 ( 0.000 0.000 8.840) 8.840 85.577 ( 0.000 0.000 30.737) 30.737 87.705 ( 0.000 0.000 -17.783) 17.783 ======================= Grid point 226 (74/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.579 0.000 11.308) 11.323 1.417 ( 7.203 0.000 16.761) 18.243 1.734 ( -12.548 0.000 -0.183) 12.549 2.073 ( -12.379 0.000 4.051) 13.025 2.473 ( 8.644 0.000 -1.252) 8.734 2.564 ( 9.225 0.000 22.314) 24.146 2.773 ( -2.104 0.000 -3.833) 4.372 2.996 ( 2.298 0.000 0.566) 2.366 3.685 ( -2.262 0.000 6.605) 6.982 4.015 ( -0.646 0.000 1.859) 1.968 4.692 ( 4.146 0.000 12.873) 13.524 5.049 ( -3.996 0.000 6.456) 7.593 7.230 ( 2.012 0.000 2.640) 3.320 7.390 ( 3.943 0.000 8.706) 9.557 7.420 ( -2.710 0.000 -1.224) 2.973 7.734 ( -3.306 0.000 -0.565) 3.354 8.226 ( 1.853 0.000 0.908) 2.063 8.346 ( -1.191 0.000 -1.726) 2.097 8.378 ( 1.067 0.000 1.364) 1.732 8.703 ( 3.091 0.000 -7.504) 8.116 9.987 ( 1.021 0.000 -2.452) 2.656 10.203 ( -4.478 0.000 2.105) 4.948 10.344 ( 14.487 0.000 -11.725) 18.638 11.260 ( -5.496 0.000 -22.447) 23.110 11.783 ( 0.558 0.000 2.127) 2.199 11.845 ( -1.355 0.000 2.094) 2.495 11.928 ( 1.732 0.000 -0.408) 1.780 12.020 ( -0.916 0.000 -1.059) 1.400 12.242 ( -1.244 0.000 14.537) 14.590 12.482 ( -10.248 0.000 4.451) 11.173 12.997 ( 14.773 0.000 -3.807) 15.256 13.669 ( -5.882 0.000 -13.903) 15.096 16.274 ( 10.404 0.000 19.518) 22.118 16.823 ( 4.466 0.000 -2.548) 5.142 17.241 ( -6.095 0.000 2.635) 6.641 17.320 ( -12.146 0.000 -0.610) 12.162 28.090 ( 0.428 0.000 5.775) 5.791 28.125 ( -0.446 0.000 4.857) 4.877 28.582 ( 0.041 0.000 -3.852) 3.852 28.585 ( -0.023 0.000 -4.875) 4.875 31.689 ( 4.875 0.000 4.201) 6.436 31.911 ( -1.230 0.000 0.285) 1.262 32.671 ( 0.281 0.000 -0.125) 0.307 32.724 ( -0.814 0.000 -1.240) 1.483 83.753 ( 1.129 0.000 10.839) 10.898 83.980 ( -5.242 0.000 10.013) 11.302 85.746 ( 17.339 0.000 27.776) 32.743 87.426 ( -27.361 0.000 -8.121) 28.540 ======================= Grid point 227 (75/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 6.772 0.000 5.616) 8.798 1.476 ( -13.253 0.000 1.265) 13.313 1.599 ( 11.605 0.000 12.411) 16.991 1.833 ( -12.987 0.000 7.818) 15.159 2.614 ( 6.437 0.000 -2.538) 6.919 2.714 ( -4.244 0.000 -3.374) 5.421 2.770 ( 11.594 0.000 15.530) 19.380 2.956 ( -7.039 0.000 6.676) 9.701 3.741 ( 8.081 0.000 9.177) 12.227 3.919 ( -8.874 0.000 7.293) 11.487 4.808 ( 7.493 0.000 7.173) 10.373 4.946 ( -6.743 0.000 5.711) 8.837 7.283 ( 3.503 0.000 1.676) 3.883 7.355 ( -3.911 0.000 0.244) 3.918 7.492 ( 6.774 0.000 7.926) 10.426 7.629 ( -7.246 0.000 5.581) 9.146 8.269 ( 2.543 0.000 -0.176) 2.549 8.314 ( -2.157 0.000 -1.138) 2.439 8.490 ( 9.605 0.000 -2.943) 10.046 8.664 ( -7.034 0.000 -6.346) 9.474 10.027 ( 3.279 0.000 -3.264) 4.627 10.108 ( -5.113 0.000 -0.986) 5.207 10.698 ( 21.302 0.000 -17.271) 27.423 11.063 ( -15.862 0.000 -22.005) 27.126 11.798 ( 1.013 0.000 2.113) 2.343 11.820 ( -1.308 0.000 2.071) 2.449 11.963 ( 1.909 0.000 -0.574) 1.993 11.996 ( -1.602 0.000 -0.852) 1.815 12.243 ( 1.931 0.000 12.866) 13.010 12.322 ( -6.527 0.000 9.047) 11.156 13.274 ( 14.203 0.000 -7.771) 16.190 13.511 ( -10.804 0.000 -11.368) 15.683 16.545 ( 17.618 0.000 17.640) 24.931 16.857 ( -9.046 0.000 10.334) 13.734 17.051 ( -3.037 0.000 -1.580) 3.423 17.147 ( -7.489 0.000 -3.005) 8.070 28.101 ( 0.701 0.000 5.503) 5.548 28.114 ( -0.712 0.000 5.153) 5.202 28.583 ( 0.056 0.000 -4.181) 4.181 28.584 ( -0.045 0.000 -4.571) 4.571 31.791 ( 5.271 0.000 1.089) 5.383 31.871 ( -3.151 0.000 0.011) 3.151 32.682 ( 0.920 0.000 -0.254) 0.954 32.704 ( -1.251 0.000 -0.760) 1.464 83.792 ( 3.196 0.000 11.451) 11.889 83.874 ( -5.433 0.000 11.332) 12.567 86.192 ( 29.340 0.000 20.597) 35.848 86.809 ( -35.207 0.000 8.684) 36.262 ======================= Grid point 230 (76/144) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 8.538 12.197) 14.888 1.582 ( 0.000 15.926 16.393) 22.855 1.910 ( 0.000 6.750 0.633) 6.780 2.409 ( 0.000 10.887 9.909) 14.721 2.452 ( 0.000 12.027 -4.201) 12.740 2.618 ( 0.000 14.672 19.127) 24.106 2.931 ( 0.000 11.789 -3.894) 12.416 3.069 ( 0.000 13.479 -2.431) 13.697 3.779 ( 0.000 4.448 2.479) 5.092 3.990 ( 0.000 0.002 0.030) 0.031 4.643 ( 0.000 -1.197 15.590) 15.635 5.065 ( 0.000 -2.191 6.575) 6.930 7.261 ( 0.000 0.492 5.420) 5.442 7.429 ( 0.000 -1.690 -0.515) 1.767 7.467 ( 0.000 11.830 4.686) 12.724 7.815 ( 0.000 4.750 -3.482) 5.890 8.221 ( 0.000 2.834 2.527) 3.797 8.433 ( 0.000 3.692 0.829) 3.784 8.461 ( 0.000 8.549 -1.471) 8.675 8.730 ( 0.000 9.130 -8.779) 12.666 9.938 ( 0.000 -3.910 0.697) 3.972 10.119 ( 0.000 -7.236 -8.989) 11.539 10.246 ( 0.000 -0.333 2.194) 2.219 11.094 ( 0.000 -16.631 -14.306) 21.938 11.820 ( 0.000 3.686 1.079) 3.841 11.893 ( 0.000 -7.456 3.096) 8.073 11.907 ( 0.000 5.110 1.484) 5.321 12.086 ( 0.000 11.089 -2.841) 11.447 12.280 ( 0.000 3.951 9.326) 10.128 12.794 ( 0.000 1.053 0.110) 1.058 12.858 ( 0.000 14.089 -4.880) 14.910 13.667 ( 0.000 -5.622 -13.877) 14.972 16.139 ( 0.000 -3.385 18.785) 19.088 16.711 ( 0.000 -6.327 -3.690) 7.325 17.209 ( 0.000 -7.942 1.546) 8.091 17.303 ( 0.000 -13.723 0.734) 13.743 28.148 ( 0.000 5.946 5.585) 8.157 28.236 ( 0.000 9.614 2.624) 9.965 28.634 ( 0.000 5.016 -3.450) 6.088 28.641 ( 0.000 5.451 -4.804) 7.266 31.640 ( 0.000 0.226 5.954) 5.958 31.907 ( 0.000 -1.418 0.593) 1.538 32.648 ( 0.000 -2.084 -0.230) 2.096 32.699 ( 0.000 -3.130 -1.249) 3.370 83.729 ( 0.000 -1.328 9.811) 9.900 83.975 ( 0.000 -5.699 8.941) 10.603 85.472 ( 0.000 -9.991 29.148) 30.813 87.253 ( 0.000 -40.015 -5.439) 40.383 ======================= Grid point 231 (77/144) ======================= q-point: ( 0.20 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.767 7.777 10.458) 13.055 1.612 ( 0.520 9.817 11.504) 15.132 1.808 ( -6.343 12.712 4.574) 14.925 2.271 ( -9.720 15.530 5.018) 18.996 2.595 ( 9.841 11.199 4.019) 15.441 2.687 ( 6.529 11.827 14.043) 19.486 2.927 ( -1.211 13.023 -3.999) 13.677 3.083 ( 0.281 10.729 -1.101) 10.789 3.725 ( -1.935 4.526 6.025) 7.780 4.026 ( 0.307 1.383 2.016) 2.464 4.673 ( 3.683 -1.750 12.389) 13.043 5.026 ( -4.007 -2.199 6.097) 7.620 7.287 ( 2.746 0.936 5.276) 6.021 7.431 ( 0.130 0.880 0.128) 0.899 7.470 ( 0.290 8.724 4.799) 9.961 7.745 ( -7.098 1.491 1.086) 7.334 8.235 ( 3.045 2.225 1.651) 4.117 8.435 ( -1.088 8.631 -1.547) 8.836 8.481 ( 3.417 8.394 -0.965) 9.114 8.781 ( 2.406 7.664 -9.713) 12.604 9.960 ( 2.154 -2.368 -2.455) 4.034 10.194 ( -3.014 -2.022 2.187) 4.238 10.237 ( 10.725 -8.135 -9.923) 16.723 11.047 ( -5.458 -17.054 -15.218) 23.499 11.810 ( -0.615 0.069 1.987) 2.081 11.887 ( -1.847 3.884 1.903) 4.703 11.905 ( 1.042 -2.816 3.311) 4.470 12.058 ( -3.119 7.967 0.449) 8.568 12.308 ( 3.302 7.870 5.931) 10.393 12.661 ( -7.832 10.949 -1.784) 13.579 13.033 ( 11.885 3.460 -4.137) 13.051 13.616 ( -5.374 -5.190 -12.926) 14.930 16.233 ( 9.801 -3.930 18.285) 21.115 16.757 ( 4.497 -6.344 -2.571) 8.190 17.151 ( -8.236 -9.190 4.124) 13.012 17.194 ( -8.508 -11.044 -0.294) 13.944 28.154 ( 0.714 6.182 5.422) 8.254 28.225 ( -1.080 9.089 3.129) 9.673 28.635 ( 0.104 5.077 -3.617) 6.235 28.641 ( -0.056 5.420 -4.677) 7.159 31.686 ( 4.422 -0.234 4.158) 6.074 31.896 ( -1.233 -1.422 0.391) 1.922 32.649 ( 0.205 -2.148 -0.172) 2.165 32.693 ( -0.690 -3.016 -1.099) 3.284 83.737 ( 0.947 -1.474 10.184) 10.334 83.929 ( -4.318 -4.770 9.790) 11.714 85.619 ( 15.079 -12.010 26.752) 32.973 87.032 ( -21.894 -35.217 0.802) 41.476 ======================= Grid point 232 (78/144) ======================= q-point: ( 0.40 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 4.640 5.479 6.355) 9.589 1.477 ( -10.675 2.632 3.013) 11.400 1.865 ( 9.379 20.367 11.685) 25.285 2.068 ( -11.444 18.500 8.344) 23.299 2.768 ( 7.412 13.297 -2.073) 15.363 2.842 ( 9.033 8.001 12.079) 17.074 2.878 ( -3.160 14.048 -3.355) 14.785 3.021 ( -7.234 8.098 4.225) 11.652 3.783 ( 7.652 4.600 8.870) 12.585 3.948 ( -8.018 3.203 7.207) 11.247 4.783 ( 7.415 -2.348 6.897) 10.395 4.922 ( -6.842 -2.315 5.404) 9.021 7.358 ( 4.381 3.803 3.890) 6.985 7.421 ( -1.813 5.357 1.256) 5.793 7.492 ( 2.824 1.490 5.868) 6.681 7.593 ( -7.739 -2.560 6.094) 10.178 8.323 ( 4.942 4.738 0.010) 6.846 8.396 ( -2.924 7.419 -0.931) 8.028 8.592 ( 8.201 9.669 -4.216) 13.362 8.744 ( -6.319 8.006 -7.727) 12.796 10.015 ( 3.755 -1.014 -3.815) 5.448 10.100 ( -5.233 -0.655 -1.446) 5.469 10.544 ( 18.933 -13.402 -13.149) 26.664 10.867 ( -14.041 -16.373 -15.876) 26.782 11.811 ( 0.921 -1.703 3.418) 3.928 11.844 ( -2.367 0.949 3.310) 4.178 11.933 ( 2.087 1.888 3.524) 4.510 11.987 ( -3.686 4.656 3.414) 6.850 12.398 ( 5.951 12.193 1.510) 13.652 12.521 ( -7.054 13.311 -0.887) 15.091 13.264 ( 12.241 -1.141 -7.067) 14.181 13.473 ( -9.680 -3.805 -10.421) 14.723 16.488 ( 16.553 -5.475 16.547) 24.037 16.789 ( -9.942 -6.567 10.577) 15.933 16.954 ( -0.795 -9.102 -1.920) 9.336 17.062 ( -7.252 -8.053 -2.414) 11.102 28.173 ( 1.265 6.879 4.930) 8.557 28.200 ( -1.472 7.954 4.110) 9.074 28.637 ( 0.128 5.206 -3.983) 6.556 28.639 ( -0.101 5.332 -4.368) 6.894 31.780 ( 4.937 -0.982 1.362) 5.215 31.856 ( -3.064 -1.353 0.249) 3.359 32.658 ( 0.747 -2.370 -0.257) 2.498 32.675 ( -1.049 -2.715 -0.675) 2.988 83.770 ( 2.723 -2.017 10.778) 11.298 83.840 ( -4.584 -3.156 10.753) 12.108 86.005 ( 25.250 -17.367 21.027) 37.166 86.528 ( -29.321 -25.630 12.224) 40.817 ======================= Grid point 235 (79/144) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 14.611 8.473) 16.890 1.785 ( 0.000 6.349 9.095) 11.092 2.130 ( 0.000 10.356 8.689) 13.518 2.627 ( 0.000 4.104 -2.140) 4.628 2.728 ( 0.000 16.653 8.238) 18.579 3.024 ( 0.000 25.531 12.102) 28.254 3.263 ( 0.000 18.317 -4.042) 18.758 3.496 ( 0.000 26.643 -5.554) 27.215 3.963 ( 0.000 14.627 0.840) 14.651 4.008 ( 0.000 2.370 2.794) 3.664 4.625 ( 0.000 0.310 11.945) 11.949 5.001 ( 0.000 -3.938 5.332) 6.628 7.238 ( 0.000 -2.066 5.106) 5.508 7.382 ( 0.000 -2.782 1.043) 2.971 7.628 ( 0.000 1.318 8.376) 8.479 7.902 ( 0.000 2.733 0.199) 2.740 8.388 ( 0.000 12.614 -3.096) 12.988 8.532 ( 0.000 6.068 -1.584) 6.271 8.696 ( 0.000 12.914 -1.766) 13.034 8.957 ( 0.000 12.039 -9.863) 15.563 9.848 ( 0.000 -4.127 1.199) 4.297 9.975 ( 0.000 -5.146 -7.645) 9.216 10.241 ( 0.000 -0.132 -0.047) 0.140 10.724 ( 0.000 -18.457 -6.343) 19.517 11.814 ( 0.000 -0.238 5.411) 5.416 11.928 ( 0.000 7.501 -2.302) 7.847 12.081 ( 0.000 11.443 1.472) 11.537 12.171 ( 0.000 -0.155 10.289) 10.290 12.528 ( 0.000 16.948 -10.429) 19.900 12.811 ( 0.000 0.269 1.799) 1.819 13.095 ( 0.000 8.284 -10.104) 13.066 13.503 ( 0.000 -10.269 -11.412) 15.352 16.042 ( 0.000 -5.913 15.483) 16.573 16.529 ( 0.000 -11.225 -3.306) 11.702 16.946 ( 0.000 -19.918 4.710) 20.468 16.982 ( 0.000 -13.901 1.171) 13.950 28.317 ( 0.000 10.313 4.850) 11.397 28.479 ( 0.000 13.256 -0.381) 13.261 28.778 ( 0.000 8.807 -2.699) 9.212 28.798 ( 0.000 9.616 -4.179) 10.485 31.649 ( 0.000 0.673 4.993) 5.038 31.869 ( 0.000 -2.074 0.635) 2.169 32.586 ( 0.000 -3.888 -0.376) 3.906 32.609 ( 0.000 -5.580 -0.896) 5.651 83.691 ( 0.000 -2.318 8.118) 8.442 83.828 ( 0.000 -7.984 8.635) 11.760 85.194 ( 0.000 -16.444 24.814) 29.768 86.302 ( 0.000 -48.559 10.631) 49.709 ======================= Grid point 236 (80/144) ======================= q-point: ( 0.20 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -2.273 13.819 7.655) 15.960 1.744 ( -5.641 6.543 4.556) 9.766 2.124 ( 1.992 12.332 13.233) 18.198 2.559 ( -6.107 9.877 5.228) 12.735 2.844 ( 9.226 9.872 2.025) 13.663 3.053 ( 3.625 25.509 10.361) 27.770 3.244 ( -2.048 16.928 -4.266) 17.577 3.480 ( -2.584 26.263 -5.107) 26.879 3.900 ( -0.601 12.611 5.554) 13.793 4.102 ( 3.438 7.400 2.128) 8.432 4.637 ( 2.024 -0.920 9.829) 10.077 4.962 ( -4.091 -3.964 4.863) 7.490 7.260 ( 2.653 -2.461 5.684) 6.738 7.420 ( 3.675 -1.911 1.516) 4.411 7.582 ( -4.354 -0.206 7.596) 8.758 7.823 ( -8.530 4.995 1.460) 9.992 8.340 ( 1.715 7.325 0.448) 7.537 8.658 ( -2.404 11.934 -1.701) 12.292 8.690 ( 8.708 11.522 -3.923) 14.966 8.994 ( 2.179 12.174 -10.944) 16.514 9.908 ( 5.473 -2.654 -1.740) 6.326 10.012 ( 4.736 -8.687 -5.247) 11.199 10.203 ( -3.238 0.112 -2.131) 3.878 10.672 ( -5.647 -18.306 -6.984) 20.390 11.779 ( -1.861 0.205 5.443) 5.756 11.978 ( 1.551 6.736 1.525) 7.078 12.010 ( -3.693 6.853 3.321) 8.464 12.176 ( -0.780 5.902 5.709) 8.248 12.568 ( 4.100 15.561 -9.606) 18.741 12.811 ( -0.723 3.765 -2.376) 4.510 13.119 ( 3.112 4.124 -7.717) 9.286 13.463 ( -4.157 -9.640 -10.524) 14.865 16.121 ( 8.194 -6.811 15.043) 18.435 16.573 ( 4.450 -11.364 -2.557) 12.469 16.852 ( -9.348 -18.047 6.245) 21.262 16.943 ( -4.091 -13.931 0.221) 14.521 28.329 ( 1.281 10.566 4.580) 11.587 28.458 ( -2.006 12.954 0.509) 13.118 28.780 ( 0.253 8.883 -2.937) 9.359 28.797 ( -0.172 9.534 -4.037) 10.355 31.684 ( 3.369 0.059 3.795) 5.076 31.859 ( -1.180 -2.029 0.546) 2.410 32.585 ( -0.010 -4.025 -0.311) 4.037 32.606 ( -0.354 -5.369 -0.786) 5.437 83.695 ( 0.533 -2.508 8.453) 8.833 83.805 ( -2.254 -6.829 8.860) 11.411 85.292 ( 10.005 -19.062 23.528) 31.891 86.178 ( -12.455 -44.377 12.582) 47.778 ======================= Grid point 237 (81/144) ======================= q-point: ( 0.40 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.734 12.081 5.496) 13.385 1.601 ( -7.556 9.198 3.186) 12.322 2.233 ( 8.610 13.086 14.342) 21.238 2.409 ( -9.399 12.178 10.763) 18.775 3.008 ( 7.597 8.836 -0.364) 11.659 3.111 ( -1.749 14.125 1.719) 14.337 3.238 ( 5.143 24.149 0.124) 24.691 3.381 ( -7.579 25.503 -1.819) 26.668 3.964 ( 6.349 13.715 7.457) 16.853 4.084 ( -4.936 11.088 6.133) 13.599 4.722 ( 6.679 -3.160 5.338) 9.115 4.856 ( -6.903 -3.922 4.139) 8.953 7.343 ( 6.070 -3.404 6.878) 9.785 7.466 ( -5.234 -4.849 7.298) 10.206 7.519 ( 4.113 3.195 2.165) 5.640 7.645 ( -8.704 5.626 2.511) 10.664 8.444 ( 7.448 6.633 1.066) 10.031 8.573 ( -5.844 8.950 0.131) 10.689 8.851 ( 7.984 14.470 -6.493) 17.756 8.976 ( -4.485 13.619 -9.383) 17.136 9.996 ( 4.079 -0.651 -5.324) 6.738 10.070 ( -3.002 -3.626 -1.954) 5.096 10.259 ( 12.552 -11.090 -7.566) 18.379 10.508 ( -11.812 -16.810 -7.861) 21.997 11.782 ( 2.526 0.486 7.210) 7.655 11.871 ( -6.504 2.026 7.759) 10.325 12.069 ( 4.000 9.280 0.708) 10.131 12.136 ( -3.096 9.251 2.526) 10.077 12.665 ( 5.679 13.120 -8.716) 16.744 12.763 ( -4.329 9.794 -7.373) 13.001 13.219 ( 7.035 -3.309 -6.234) 9.965 13.356 ( -6.941 -7.589 -8.295) 13.213 16.332 ( 13.660 -9.372 13.635) 21.456 16.595 ( -11.744 -12.215 10.682) 20.031 16.711 ( 4.437 -13.839 -2.619) 14.767 16.837 ( -6.832 -13.469 -1.355) 15.164 28.363 ( 2.310 11.258 3.732) 12.083 28.412 ( -2.730 12.174 2.267) 12.681 28.786 ( 0.340 9.078 -3.366) 9.688 28.792 ( -0.297 9.326 -3.733) 10.050 31.757 ( 4.045 -1.060 1.725) 4.523 31.823 ( -2.734 -1.778 0.646) 3.325 32.588 ( 0.316 -4.383 -0.297) 4.404 32.597 ( -0.542 -4.889 -0.511) 4.946 83.715 ( 1.636 -3.213 8.979) 9.676 83.756 ( -2.625 -4.722 9.114) 10.595 85.547 ( 16.538 -25.821 20.518) 36.895 85.880 ( -18.046 -35.107 16.637) 42.836 ======================= Grid point 240 (82/144) ======================= q-point: ( 0.00 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 17.747 4.972) 18.430 1.916 ( 0.000 6.762 6.422) 9.325 2.310 ( 0.000 8.277 8.397) 11.791 2.661 ( 0.000 0.164 -2.384) 2.390 2.928 ( 0.000 3.663 7.422) 8.277 3.501 ( 0.000 3.721 -5.922) 6.994 3.632 ( 0.000 30.503 5.951) 31.078 4.036 ( 0.000 8.228 9.224) 12.361 4.139 ( 0.000 24.625 -5.213) 25.171 4.362 ( 0.000 22.591 1.155) 22.620 4.727 ( 0.000 11.594 2.992) 11.973 4.919 ( 0.000 -3.026 2.135) 3.703 7.183 ( 0.000 -3.398 3.777) 5.081 7.322 ( 0.000 -2.959 1.554) 3.342 7.586 ( 0.000 -2.959 9.591) 10.037 7.913 ( 0.000 -1.465 2.914) 3.261 8.598 ( 0.000 5.622 -6.342) 8.475 8.655 ( 0.000 5.325 -4.951) 7.271 8.939 ( 0.000 10.037 0.457) 10.047 9.201 ( 0.000 12.141 -5.537) 13.344 9.798 ( 0.000 -0.292 -0.264) 0.394 9.931 ( 0.000 -0.481 -8.759) 8.772 10.236 ( 0.000 -0.543 -1.759) 1.841 10.376 ( 0.000 -14.648 -1.083) 14.688 11.852 ( 0.000 2.897 9.307) 9.747 12.138 ( 0.000 12.926 -4.060) 13.549 12.165 ( 0.000 0.437 8.921) 8.932 12.347 ( 0.000 13.811 1.539) 13.897 12.803 ( 0.000 -0.758 2.906) 3.003 12.872 ( 0.000 15.995 -13.300) 20.802 13.198 ( 0.000 2.482 -12.163) 12.413 13.262 ( 0.000 -12.949 -8.267) 15.363 15.908 ( 0.000 -7.049 11.224) 13.254 16.271 ( 0.000 -13.483 -2.696) 13.750 16.538 ( 0.000 -19.193 6.172) 20.161 16.664 ( 0.000 -16.697 0.791) 16.716 28.553 ( 0.000 12.501 3.969) 13.116 28.751 ( 0.000 13.078 -1.593) 13.174 28.978 ( 0.000 10.458 -1.687) 10.594 29.015 ( 0.000 11.075 -3.046) 11.486 31.670 ( 0.000 1.479 3.603) 3.895 31.829 ( 0.000 -1.708 0.497) 1.779 32.479 ( 0.000 -6.999 -0.545) 7.020 32.492 ( 0.000 -5.237 -0.607) 5.272 83.638 ( 0.000 -2.749 5.915) 6.522 83.675 ( 0.000 -6.620 7.166) 9.755 84.833 ( 0.000 -18.278 18.884) 26.281 85.386 ( 0.000 -40.134 14.848) 42.793 ======================= Grid point 241 (83/144) ======================= q-point: ( 0.20 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -3.605 14.162 5.151) 15.494 1.918 ( -2.611 11.615 3.120) 12.307 2.316 ( 2.442 7.978 11.520) 14.224 2.659 ( -2.198 1.617 1.971) 3.366 2.971 ( 5.477 2.568 4.565) 7.578 3.429 ( -6.177 5.126 -3.570) 8.786 3.697 ( 5.472 29.131 3.960) 29.904 4.081 ( -5.382 26.531 -4.277) 27.407 4.109 ( 7.106 8.118 8.289) 13.605 4.395 ( 2.080 20.101 2.091) 20.317 4.714 ( -0.911 10.768 1.766) 10.950 4.885 ( -3.472 -1.987 1.493) 4.270 7.200 ( 2.019 -3.468 4.399) 5.954 7.363 ( 3.510 -3.256 2.514) 5.408 7.533 ( -4.188 -2.977 7.752) 9.300 7.874 ( -5.613 -0.051 2.006) 5.961 8.476 ( -0.947 4.986 -0.812) 5.140 8.872 ( -5.017 8.197 1.001) 9.663 8.893 ( 12.479 6.900 -8.398) 16.549 9.245 ( 2.880 12.275 -7.299) 14.569 9.834 ( 3.792 -2.879 0.438) 4.781 9.944 ( 1.468 -0.341 -8.072) 8.212 10.207 ( -2.624 0.016 -3.035) 4.012 10.344 ( -3.522 -12.816 -1.769) 13.408 11.824 ( -1.782 3.348 9.148) 9.903 12.071 ( -7.712 2.255 9.465) 12.416 12.197 ( 4.777 12.260 -3.278) 13.561 12.371 ( 0.992 12.349 1.588) 12.491 12.828 ( 2.564 0.789 0.412) 2.714 12.893 ( 1.953 13.234 -12.518) 18.321 13.177 ( -2.019 1.031 -10.968) 11.200 13.237 ( -2.450 -11.380 -8.070) 14.165 15.968 ( 6.186 -7.952 10.880) 14.828 16.311 ( 4.068 -13.774 -2.267) 14.540 16.477 ( -6.207 -17.814 6.627) 19.995 16.629 ( -3.651 -16.393 0.466) 16.801 28.569 ( 1.687 12.626 3.649) 13.251 28.728 ( -2.254 13.151 -0.726) 13.362 28.982 ( 0.359 10.455 -1.954) 10.642 29.011 ( -0.370 10.980 -2.933) 11.371 31.693 ( 2.228 0.932 2.914) 3.785 31.820 ( -0.972 -1.580 0.497) 1.921 32.478 ( -0.010 -6.722 -0.483) 6.739 32.490 ( -0.217 -5.448 -0.546) 5.480 83.639 ( 0.153 -2.928 6.279) 6.930 83.672 ( -0.330 -5.753 6.908) 8.996 84.881 ( 5.016 -20.357 18.430) 27.915 85.327 ( -5.961 -37.843 15.220) 41.222 ======================= Grid point 242 (84/144) ======================= q-point: ( 0.40 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.161 14.410 3.864) 14.920 1.837 ( -4.519 13.773 2.486) 14.707 2.417 ( 7.458 6.484 12.389) 15.848 2.562 ( -7.300 4.240 8.748) 12.157 3.119 ( 9.242 2.007 0.623) 9.478 3.290 ( -8.536 3.460 -1.540) 9.339 3.819 ( 7.314 29.002 1.477) 29.947 3.959 ( -7.310 27.707 -1.605) 28.700 4.265 ( 8.404 11.551 6.677) 15.768 4.387 ( -3.749 15.935 5.250) 17.191 4.724 ( 2.612 7.074 -0.686) 7.572 4.802 ( -4.924 1.599 -0.078) 5.178 7.263 ( 4.647 -4.069 5.880) 8.528 7.360 ( -4.743 -4.782 7.009) 9.721 7.545 ( 6.722 -0.504 1.863) 6.993 7.712 ( -10.027 0.825 1.315) 10.146 8.565 ( 8.374 4.726 1.963) 9.814 8.732 ( -8.647 6.286 1.808) 10.842 9.112 ( 9.722 9.274 -9.081) 16.217 9.244 ( -3.784 11.464 -9.180) 15.166 9.927 ( 5.072 -6.850 -0.328) 8.530 9.974 ( 0.586 -2.281 -4.474) 5.056 10.175 ( 0.681 -0.057 -5.705) 5.746 10.250 ( -5.872 -7.092 -3.848) 9.979 11.825 ( 2.488 3.140 9.889) 10.670 11.921 ( -7.298 2.667 10.142) 12.776 12.290 ( 4.613 12.381 -1.437) 13.291 12.358 ( -2.343 12.297 0.388) 12.524 12.888 ( 3.226 4.147 -5.293) 7.458 12.922 ( 0.193 8.336 -10.323) 13.270 13.148 ( -0.159 -2.988 -8.369) 8.888 13.181 ( -3.096 -7.647 -7.682) 11.273 16.124 ( 9.986 -10.534 9.889) 17.563 16.317 ( -9.825 -14.111 8.534) 19.196 16.415 ( 6.156 -14.847 -1.858) 16.180 16.535 ( -6.078 -15.655 -0.515) 16.801 28.614 ( 2.947 12.915 2.669) 13.513 28.674 ( -3.288 13.147 1.067) 13.594 28.991 ( 0.576 10.543 -2.390) 10.826 29.002 ( -0.582 10.757 -2.700) 11.106 31.743 ( 2.871 -0.192 1.595) 3.290 31.791 ( -2.108 -1.113 0.729) 2.493 32.480 ( 0.177 -6.237 -0.397) 6.252 32.485 ( -0.318 -5.827 -0.430) 5.851 83.647 ( 0.660 -3.324 6.647) 7.461 83.661 ( -0.773 -4.278 6.717) 8.001 85.011 ( 8.486 -25.645 17.346) 32.102 85.181 ( -9.058 -32.205 16.154) 37.150 ======================= Grid point 245 (85/144) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 7.393 4.300) 8.552 2.263 ( 0.000 18.719 2.534) 18.890 2.488 ( 0.000 9.317 4.595) 10.388 2.651 ( 0.000 -0.860 -3.511) 3.615 2.939 ( 0.000 -1.409 4.600) 4.811 3.466 ( 0.000 -5.787 -7.373) 9.372 3.981 ( 0.000 -7.711 13.244) 15.325 4.101 ( 0.000 10.925 5.142) 12.075 4.745 ( 0.000 28.420 -6.404) 29.132 4.766 ( 0.000 15.739 4.576) 16.391 5.008 ( 0.000 15.168 -5.885) 16.269 5.065 ( 0.000 18.871 -3.113) 19.126 7.098 ( 0.000 -4.564 4.338) 6.297 7.263 ( 0.000 -2.899 1.086) 3.096 7.569 ( 0.000 1.814 3.303) 3.768 7.862 ( 0.000 -2.977 4.064) 5.038 8.620 ( 0.000 -2.150 -4.538) 5.022 8.736 ( 0.000 2.601 -8.882) 9.255 9.090 ( 0.000 5.054 2.024) 5.445 9.451 ( 0.000 11.710 -3.371) 12.186 9.830 ( 0.000 2.818 -1.984) 3.446 9.853 ( 0.000 -8.455 -5.147) 9.899 10.184 ( 0.000 -3.854 -1.731) 4.225 10.209 ( 0.000 -2.319 -1.824) 2.950 11.895 ( 0.000 0.925 13.038) 13.071 12.211 ( 0.000 4.094 6.939) 8.057 12.424 ( 0.000 13.243 -3.412) 13.676 12.593 ( 0.000 8.557 1.625) 8.710 12.807 ( 0.000 1.930 2.360) 3.049 13.007 ( 0.000 -9.870 -4.326) 10.776 13.142 ( 0.000 8.276 -11.057) 13.811 13.242 ( 0.000 4.260 -12.741) 13.434 15.764 ( 0.000 -6.805 7.166) 9.882 16.000 ( 0.000 -12.695 -1.955) 12.845 16.189 ( 0.000 -14.686 5.635) 15.731 16.324 ( 0.000 -16.049 0.742) 16.066 28.813 ( 0.000 12.637 3.161) 13.026 29.003 ( 0.000 11.525 -1.589) 11.634 29.188 ( 0.000 9.723 -0.718) 9.749 29.229 ( 0.000 9.484 -1.625) 9.622 31.712 ( 0.000 2.622 2.047) 3.326 31.805 ( 0.000 -0.506 0.165) 0.532 32.330 ( 0.000 -7.400 -0.331) 7.408 32.376 ( 0.000 -6.068 -0.868) 6.130 83.570 ( 0.000 -3.529 4.885) 6.027 83.584 ( 0.000 -2.491 3.820) 4.561 84.473 ( 0.000 -16.651 12.746) 20.969 84.680 ( 0.000 -29.146 12.151) 31.578 ======================= Grid point 246 (86/144) ======================= q-point: ( 0.20 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -0.136 9.721 3.427) 10.309 2.238 ( -3.245 17.761 1.414) 18.110 2.481 ( 0.942 8.461 6.553) 10.743 2.670 ( -0.031 -0.052 -0.608) 0.611 2.975 ( 4.554 -1.513 2.975) 5.646 3.421 ( -4.894 -4.304 -5.153) 8.308 4.026 ( 4.834 -8.768 10.973) 14.854 4.137 ( 3.134 8.403 4.973) 10.255 4.705 ( -2.962 27.232 -4.272) 27.723 4.751 ( -2.546 16.453 2.783) 16.880 5.010 ( 0.548 18.063 -6.457) 19.190 5.067 ( -0.098 18.368 -3.009) 18.613 7.119 ( 2.293 -4.158 4.506) 6.546 7.304 ( 3.536 -2.478 1.541) 4.584 7.496 ( -5.414 -0.266 3.618) 6.517 7.844 ( -4.151 -2.308 1.581) 5.006 8.536 ( -0.292 1.278 -1.913) 2.319 8.941 ( 13.318 -0.223 -8.991) 16.070 9.009 ( -7.104 4.630 0.993) 8.538 9.477 ( 0.158 9.184 -6.186) 11.074 9.790 ( 0.217 -3.348 -0.395) 3.378 9.920 ( 3.470 -0.536 -2.955) 4.589 10.186 ( -0.151 -2.752 -2.577) 3.773 10.197 ( -0.773 -1.702 -2.477) 3.103 11.881 ( -0.918 1.797 12.608) 12.768 12.128 ( -7.442 3.919 8.466) 11.934 12.470 ( 4.110 12.634 -3.812) 13.821 12.610 ( 1.043 8.708 0.842) 8.810 12.817 ( 1.118 0.449 2.390) 2.676 12.979 ( -2.785 -9.139 -3.487) 10.170 13.147 ( 0.584 7.540 -11.366) 13.652 13.228 ( -1.381 4.460 -12.621) 13.456 15.809 ( 4.518 -7.421 6.959) 11.131 16.034 ( 3.443 -12.990 -1.570) 13.530 16.151 ( -3.888 -13.827 5.587) 15.412 16.297 ( -2.902 -15.629 0.622) 15.909 28.830 ( 1.804 12.640 2.869) 13.086 28.985 ( -1.908 11.830 -0.899) 12.016 29.190 ( 0.236 9.549 -0.939) 9.598 29.224 ( -0.509 9.451 -1.590) 9.597 31.724 ( 1.261 2.200 1.694) 3.049 31.800 ( -0.602 -0.310 0.198) 0.705 32.334 ( 0.381 -7.253 -0.350) 7.272 32.371 ( -0.513 -6.183 -0.786) 6.254 83.574 ( 0.481 -3.009 4.755) 5.647 83.588 ( 0.368 -2.574 3.896) 4.685 84.486 ( 1.501 -17.959 12.679) 22.035 84.655 ( -2.550 -28.059 12.180) 30.694 ======================= Grid point 247 (87/144) ======================= q-point: ( 0.40 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.625 13.698 2.254) 14.128 2.151 ( -5.072 16.340 1.267) 17.156 2.538 ( 4.515 5.963 7.252) 10.418 2.625 ( -4.176 2.517 4.414) 6.576 3.111 ( 9.207 -2.211 0.152) 9.470 3.288 ( -8.903 -2.834 -1.898) 9.534 4.134 ( 5.330 -7.886 7.639) 12.204 4.182 ( 0.589 0.550 5.376) 5.436 4.661 ( -1.054 26.567 -2.753) 26.730 4.685 ( -3.390 20.327 0.575) 20.616 5.031 ( 1.448 19.602 -5.434) 20.393 5.056 ( -1.055 18.901 -3.798) 19.308 7.186 ( 4.874 -3.154 4.899) 7.596 7.291 ( -5.457 -1.684 4.745) 7.425 7.509 ( 7.741 -2.751 0.531) 8.232 7.694 ( -10.426 -2.268 -0.148) 10.671 8.637 ( 9.404 2.774 0.725) 9.831 8.832 ( -10.438 3.868 1.262) 11.203 9.194 ( 12.369 -0.599 -10.257) 16.080 9.394 ( -8.442 2.072 -9.705) 13.029 9.861 ( 5.744 0.341 2.053) 6.110 9.943 ( -1.814 0.837 0.358) 2.029 10.178 ( 0.258 -0.364 -4.543) 4.564 10.191 ( -0.522 -0.843 -4.206) 4.321 11.889 ( 2.480 2.902 11.846) 12.446 11.982 ( -7.134 3.484 10.526) 13.184 12.552 ( 4.073 11.497 -3.160) 12.600 12.607 ( -1.580 10.091 -1.218) 10.286 12.853 ( 2.712 -3.484 1.443) 4.645 12.915 ( -3.711 -7.155 -1.141) 8.140 13.165 ( 1.352 6.205 -11.916) 13.502 13.196 ( -1.821 5.107 -12.331) 13.470 15.920 ( 6.912 -9.210 6.455) 13.201 16.049 ( -6.409 -11.765 5.995) 14.678 16.120 ( 5.236 -13.625 -0.911) 14.625 16.220 ( -5.025 -14.675 0.075) 15.512 28.877 ( 3.019 12.585 1.989) 13.094 28.936 ( -3.112 12.324 0.596) 12.725 29.198 ( 0.626 9.353 -1.306) 9.464 29.211 ( -0.763 9.367 -1.505) 9.518 31.753 ( 1.688 1.238 0.969) 2.307 31.782 ( -1.284 0.292 0.413) 1.380 32.344 ( 0.690 -6.895 -0.432) 6.943 32.358 ( -0.772 -6.491 -0.599) 6.564 83.586 ( 0.586 -2.429 4.457) 5.110 83.592 ( -0.061 -2.417 4.114) 4.772 84.529 ( 3.015 -21.279 12.494) 24.859 84.594 ( -3.662 -25.129 12.293) 28.213 ======================= Grid point 250 (88/144) ======================= q-point: ( 0.00 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.000 8.143 0.690) 8.173 2.618 ( 0.000 4.551 0.576) 4.587 2.655 ( 0.000 12.705 -4.245) 13.395 2.680 ( 0.000 8.758 2.060) 8.997 2.907 ( 0.000 -0.676 1.035) 1.236 3.297 ( 0.000 -10.314 -8.489) 13.358 3.777 ( 0.000 -11.482 10.919) 15.845 4.066 ( 0.000 -10.241 4.934) 11.368 5.123 ( 0.000 18.250 0.961) 18.275 5.249 ( 0.000 20.419 -5.369) 21.113 5.372 ( 0.000 16.739 -6.211) 17.854 5.416 ( 0.000 14.466 -5.059) 15.325 7.021 ( 0.000 -2.548 4.183) 4.898 7.200 ( 0.000 -3.384 0.191) 3.390 7.650 ( 0.000 5.345 -3.853) 6.589 7.810 ( 0.000 -1.851 3.626) 4.071 8.563 ( 0.000 -2.409 -2.919) 3.785 8.761 ( 0.000 -0.152 -11.852) 11.853 9.167 ( 0.000 3.084 -0.305) 3.099 9.600 ( 0.000 -4.399 -7.956) 9.091 9.709 ( 0.000 2.991 3.455) 4.570 9.889 ( 0.000 2.543 -1.513) 2.959 10.141 ( 0.000 -1.865 -3.093) 3.612 10.141 ( 0.000 -4.082 -0.669) 4.137 11.908 ( 0.000 1.210 12.553) 12.611 12.310 ( 0.000 4.993 7.846) 9.300 12.538 ( 0.000 -3.122 3.720) 4.857 12.612 ( 0.000 -7.313 -2.102) 7.610 12.884 ( 0.000 10.223 -0.233) 10.226 13.050 ( 0.000 10.372 -0.341) 10.377 13.200 ( 0.000 0.897 -9.121) 9.165 13.388 ( 0.000 6.573 -9.573) 11.612 15.640 ( 0.000 -5.072 3.985) 6.451 15.769 ( 0.000 -9.645 -1.212) 9.721 15.943 ( 0.000 -9.511 4.645) 10.585 16.031 ( 0.000 -12.336 1.238) 12.398 29.056 ( 0.000 10.969 2.463) 11.242 29.212 ( 0.000 8.678 -1.126) 8.751 29.362 ( 0.000 7.071 -0.019) 7.071 29.389 ( 0.000 6.029 -0.292) 6.036 31.778 ( 0.000 3.886 0.595) 3.931 31.812 ( 0.000 1.157 -0.231) 1.180 32.183 ( 0.000 -6.966 -0.256) 6.971 32.248 ( 0.000 -6.406 -1.064) 6.493 83.530 ( 0.000 -0.446 2.800) 2.835 83.542 ( 0.000 -1.429 2.338) 2.740 84.166 ( 0.000 -13.243 7.513) 15.225 84.191 ( 0.000 -19.075 7.958) 20.668 ======================= Grid point 251 (89/144) ======================= q-point: ( 0.20 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.364 9.457 0.566) 10.053 2.596 ( -5.031 15.971 -0.950) 16.771 2.641 ( 1.714 3.446 0.171) 3.852 2.691 ( 0.170 6.684 0.423) 6.699 2.937 ( 3.706 -1.396 0.301) 3.972 3.287 ( -1.945 -8.300 -6.513) 10.728 3.798 ( 2.843 -12.821 9.335) 16.112 4.058 ( -1.294 -11.577 4.792) 12.596 5.122 ( -0.004 19.143 0.151) 19.144 5.221 ( -2.558 20.882 -4.976) 21.618 5.386 ( 1.093 16.271 -5.944) 17.358 5.416 ( -0.043 14.513 -4.981) 15.344 7.052 ( 3.370 -1.993 4.068) 5.646 7.250 ( 5.062 -3.084 -0.036) 5.928 7.525 ( -9.689 2.833 0.073) 10.095 7.795 ( -4.780 -2.326 -0.564) 5.345 8.555 ( 3.237 1.366 -2.792) 4.487 8.909 ( 11.728 -2.532 -10.836) 16.167 9.088 ( -7.640 3.558 -1.092) 8.498 9.519 ( -7.547 -5.358 -8.240) 12.392 9.782 ( 6.872 4.428 3.270) 8.805 9.946 ( 4.313 1.927 -0.847) 4.799 10.131 ( -0.040 -3.259 -1.374) 3.537 10.161 ( 1.005 -2.047 -2.822) 3.628 11.912 ( 0.646 1.944 12.432) 12.599 12.222 ( -7.920 4.880 8.862) 12.849 12.561 ( 1.585 -4.792 2.815) 5.779 12.608 ( -0.427 -7.630 -1.574) 7.803 12.898 ( 1.433 10.442 -0.239) 10.543 13.029 ( -2.084 10.553 -0.389) 10.764 13.215 ( 1.568 1.630 -9.177) 9.452 13.367 ( -2.150 6.106 -9.560) 11.546 15.675 ( 3.470 -5.452 3.954) 7.576 15.798 ( 2.876 -9.830 -0.797) 10.273 15.919 ( -2.475 -9.021 4.368) 10.324 16.012 ( -2.036 -11.921 1.144) 12.148 29.073 ( 1.717 10.904 2.245) 11.265 29.202 ( -1.142 9.204 -0.658) 9.298 29.357 ( -0.275 6.631 -0.093) 6.637 29.384 ( -0.526 6.068 -0.375) 6.102 31.783 ( 0.524 3.589 0.463) 3.657 31.810 ( -0.138 1.382 -0.201) 1.403 32.188 ( 0.584 -6.924 -0.334) 6.957 32.241 ( -0.702 -6.467 -0.988) 6.580 83.540 ( 0.947 -0.334 2.731) 2.910 83.551 ( 0.753 -1.028 2.328) 2.654 84.159 ( -0.609 -14.008 7.577) 15.938 84.179 ( -1.096 -18.786 7.926) 20.419 ======================= Grid point 252 (90/144) ======================= q-point: ( 0.40 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 6.493 12.301 0.194) 13.911 2.477 ( -7.239 14.815 -0.466) 16.495 2.669 ( 1.109 5.361 1.209) 5.606 2.685 ( -0.678 5.488 0.810) 5.588 3.051 ( 7.923 -3.097 -0.833) 8.548 3.200 ( -7.086 -5.099 -2.700) 9.137 3.891 ( 6.406 -14.493 6.139) 16.993 4.003 ( -4.764 -13.831 4.819) 15.402 5.132 ( 1.253 20.748 -1.756) 20.860 5.169 ( -2.621 21.361 -3.711) 21.839 5.404 ( 0.740 15.441 -5.403) 16.375 5.413 ( -0.290 14.801 -5.013) 15.630 7.148 ( 6.797 -0.454 3.597) 7.704 7.291 ( -6.592 1.388 1.975) 7.020 7.440 ( 6.834 -3.885 -0.294) 7.867 7.631 ( -11.096 -3.710 -1.626) 11.812 8.699 ( 10.611 3.657 -2.303) 11.457 8.908 ( -10.969 3.972 -2.005) 11.837 9.137 ( 11.951 -4.132 -10.325) 16.325 9.348 ( -10.382 -4.961 -9.379) 14.844 9.916 ( 6.291 3.721 2.783) 7.821 9.988 ( -0.836 2.584 1.308) 3.015 10.146 ( 1.581 -2.516 -2.514) 3.892 10.169 ( -0.403 -1.770 -3.246) 3.720 11.950 ( 3.903 3.427 11.886) 12.971 12.064 ( -7.981 4.516 10.602) 14.018 12.583 ( 0.867 -7.615 1.245) 7.765 12.597 ( -0.666 -8.187 -0.290) 8.220 12.933 ( 2.286 10.869 -0.326) 11.112 12.982 ( -2.756 10.900 -0.404) 11.250 13.257 ( 2.844 3.234 -9.331) 10.277 13.315 ( -3.166 4.876 -9.482) 11.123 15.758 ( 4.940 -6.564 3.935) 9.109 15.841 ( -2.536 -8.752 3.359) 9.711 15.881 ( 2.578 -9.389 0.672) 9.759 15.955 ( -3.861 -10.976 0.718) 11.658 29.116 ( 2.736 10.671 1.582) 11.129 29.167 ( -2.475 10.128 0.496) 10.438 29.358 ( 0.409 6.084 -0.349) 6.107 29.371 ( -0.809 6.020 -0.460) 6.092 31.795 ( 0.652 2.850 0.174) 2.929 31.805 ( -0.414 2.007 -0.076) 2.051 32.204 ( 1.007 -6.801 -0.537) 6.896 32.224 ( -1.081 -6.624 -0.787) 6.757 83.559 ( 0.767 -0.115 2.545) 2.661 83.563 ( 0.337 -0.319 2.371) 2.416 84.150 ( -0.162 -15.900 7.723) 17.677 84.158 ( -0.944 -17.764 7.847) 19.443 ======================= Grid point 255 (91/144) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 8.937 -3.497) 9.597 2.603 ( 0.000 -1.389 -4.295) 4.514 2.781 ( 0.000 1.444 -0.045) 1.444 2.988 ( 0.000 8.753 -0.992) 8.809 2.991 ( 0.000 10.646 -2.714) 10.986 3.077 ( 0.000 -6.541 -6.829) 9.456 3.543 ( 0.000 -10.463 8.102) 13.233 3.794 ( 0.000 -15.170 3.706) 15.616 5.442 ( 0.000 12.205 -0.625) 12.221 5.555 ( 0.000 8.879 -3.244) 9.453 5.637 ( 0.000 8.814 -6.345) 10.860 5.638 ( 0.000 7.500 -6.503) 9.927 7.004 ( 0.000 0.892 2.537) 2.690 7.124 ( 0.000 -3.910 -0.036) 3.910 7.751 ( 0.000 3.752 -6.524) 7.526 7.791 ( 0.000 -0.112 0.820) 0.828 8.553 ( 0.000 1.848 -4.466) 4.833 8.725 ( 0.000 -3.438 -12.230) 12.704 9.232 ( 0.000 3.535 -3.848) 5.225 9.442 ( 0.000 -7.339 -5.633) 9.252 9.827 ( 0.000 5.197 1.271) 5.350 9.927 ( 0.000 1.037 -0.609) 1.202 10.059 ( 0.000 -3.315 0.793) 3.409 10.092 ( 0.000 -2.803 -1.828) 3.346 11.969 ( 0.000 5.113 10.161) 11.375 12.339 ( 0.000 -11.797 2.927) 12.155 12.401 ( 0.000 3.779 8.373) 9.186 12.527 ( 0.000 -2.901 6.065) 6.723 13.084 ( 0.000 7.685 -2.919) 8.221 13.213 ( 0.000 0.140 -6.666) 6.667 13.272 ( 0.000 10.097 -0.888) 10.136 13.467 ( 0.000 1.042 -5.886) 5.977 15.566 ( 0.000 -2.153 1.803) 2.808 15.615 ( 0.000 -5.287 -0.421) 5.304 15.796 ( 0.000 -4.826 3.869) 6.185 15.833 ( 0.000 -6.868 2.097) 7.181 29.249 ( 0.000 7.666 1.753) 7.864 29.344 ( 0.000 3.900 -0.401) 3.920 29.469 ( 0.000 3.395 0.360) 3.415 29.474 ( 0.000 2.541 0.574) 2.605 31.853 ( 0.000 2.864 -0.558) 2.918 31.868 ( 0.000 4.770 -0.594) 4.807 32.052 ( 0.000 -5.706 -0.188) 5.709 32.118 ( 0.000 -6.254 -1.050) 6.342 83.531 ( 0.000 0.327 1.762) 1.792 83.542 ( 0.000 1.110 1.794) 2.110 83.899 ( 0.000 -9.409 4.381) 10.379 83.939 ( 0.000 -8.883 3.869) 9.689 ======================= Grid point 256 (92/144) ======================= q-point: ( 0.20 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 4.908 9.264 -3.456) 11.039 2.643 ( 3.817 -0.844 -4.357) 5.854 2.779 ( -0.836 3.366 -1.129) 3.647 2.936 ( -4.326 5.740 -3.048) 7.807 2.986 ( 0.455 10.288 -1.036) 10.350 3.128 ( 3.127 -3.378 -4.169) 6.211 3.534 ( -0.183 -12.107 7.408) 14.195 3.768 ( -2.893 -15.764 3.518) 16.409 5.450 ( 0.932 12.444 -1.198) 12.536 5.547 ( -0.987 10.504 -4.004) 11.285 5.623 ( -0.479 6.944 -5.048) 8.599 5.645 ( -0.010 7.772 -6.527) 10.149 7.045 ( 4.423 1.305 2.399) 5.199 7.176 ( 5.463 -4.004 -0.284) 6.779 7.598 ( -11.633 4.011 -1.593) 12.408 7.745 ( -7.657 -2.763 -2.795) 8.607 8.613 ( 7.104 4.459 -5.460) 10.008 8.838 ( 9.847 -4.561 -11.433) 15.763 9.166 ( -6.671 4.193 -4.772) 9.211 9.383 ( -6.012 -6.619 -7.241) 11.506 9.879 ( 5.008 4.087 2.162) 6.816 9.976 ( 4.226 0.609 -0.255) 4.277 10.063 ( 0.570 -2.655 0.754) 2.818 10.111 ( 1.368 -2.751 -1.687) 3.505 11.983 ( 1.645 5.364 10.302) 11.730 12.310 ( -5.718 1.001 7.382) 9.391 12.360 ( -0.669 -7.942 4.808) 9.308 12.504 ( -2.566 -4.468 5.596) 7.606 13.100 ( 1.623 7.872 -2.751) 8.495 13.236 ( 2.278 0.375 -6.406) 6.809 13.250 ( -2.123 9.713 -1.333) 10.031 13.440 ( -2.764 0.910 -6.017) 6.683 15.594 ( 2.813 -2.365 1.941) 4.156 15.642 ( 2.697 -5.287 -0.064) 5.935 15.780 ( -1.717 -4.545 3.571) 6.030 15.821 ( -1.382 -6.684 1.957) 7.101 29.264 ( 1.555 7.595 1.637) 7.923 29.348 ( 0.220 4.651 -0.247) 4.662 29.453 ( -1.256 2.794 0.633) 3.128 29.470 ( -0.667 2.489 0.299) 2.594 31.856 ( 0.337 3.091 -0.535) 3.155 31.869 ( 0.075 4.684 -0.549) 4.717 32.056 ( 0.511 -5.875 -0.330) 5.906 32.111 ( -0.769 -6.262 -1.014) 6.390 83.546 ( 1.564 0.921 1.796) 2.554 83.560 ( 1.678 1.594 1.700) 2.872 83.885 ( -1.339 -9.986 4.383) 10.988 83.920 ( -1.880 -9.381 3.910) 10.336 ======================= Grid point 257 (93/144) ======================= q-point: ( 0.40 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 7.612 9.203 -3.416) 12.422 2.691 ( -3.486 5.183 -2.771) 6.833 2.756 ( 2.609 3.942 -4.772) 6.717 2.843 ( -5.189 5.037 -3.528) 8.046 3.041 ( 5.042 4.923 0.944) 7.110 3.131 ( -3.221 1.286 -0.323) 3.484 3.575 ( 4.883 -15.848 4.689) 17.233 3.685 ( -5.758 -16.611 3.375) 17.901 5.477 ( 1.877 12.775 -2.643) 13.180 5.516 ( -2.098 12.452 -4.086) 13.272 5.625 ( 0.563 6.067 -4.550) 7.604 5.638 ( -0.677 6.787 -5.589) 8.818 7.169 ( 8.662 2.427 1.810) 9.176 7.314 ( 5.587 -1.671 -0.962) 5.910 7.382 ( -7.247 0.700 0.549) 7.301 7.546 ( -12.062 -4.525 -2.132) 13.059 8.794 ( 11.165 5.665 -6.235) 13.986 9.002 ( -10.390 5.181 -6.013) 13.075 9.040 ( 10.968 -5.353 -10.656) 16.202 9.234 ( -9.473 -5.813 -9.366) 14.535 9.980 ( 4.832 2.514 2.355) 5.934 10.032 ( 0.035 1.730 1.249) 2.135 10.087 ( 2.395 -2.995 -0.274) 3.844 10.121 ( -0.618 -2.626 -1.316) 3.002 12.042 ( 4.910 5.789 10.396) 12.873 12.166 ( -7.989 5.555 9.819) 13.824 12.380 ( 2.284 -10.133 4.079) 11.160 12.440 ( -3.773 -7.558 4.806) 9.719 13.141 ( 2.698 8.420 -2.327) 9.143 13.197 ( -3.101 9.159 -1.728) 9.823 13.297 ( 3.846 0.448 -6.469) 7.539 13.373 ( -4.094 0.645 -6.271) 7.517 15.659 ( 3.747 -2.912 2.323) 5.284 15.700 ( 2.148 -4.785 1.174) 5.375 15.740 ( -1.490 -4.574 2.500) 5.421 15.780 ( -2.938 -6.212 1.492) 7.032 29.303 ( 2.339 7.387 1.257) 7.850 29.340 ( -1.319 6.618 0.474) 6.765 29.438 ( 0.027 1.670 0.443) 1.728 29.452 ( -1.139 1.894 0.207) 2.219 31.864 ( 0.385 3.675 -0.488) 3.727 31.869 ( -0.132 4.317 -0.482) 4.346 32.071 ( 1.000 -6.149 -0.633) 6.262 32.092 ( -1.157 -6.260 -0.886) 6.428 83.580 ( 1.582 2.311 1.722) 3.288 83.588 ( 0.814 2.780 1.604) 3.311 83.863 ( -0.424 -11.209 4.340) 12.027 83.879 ( -1.958 -10.729 4.096) 11.650 ======================= Grid point 260 (94/144) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.000 -5.004 -4.912) 7.012 2.549 ( 0.000 5.004 -4.912) 7.012 2.848 ( 0.000 -6.931 -4.907) 8.492 2.848 ( 0.000 6.931 -4.907) 8.492 3.166 ( 0.000 -5.252 -1.131) 5.372 3.166 ( 0.000 5.252 -1.131) 5.372 3.500 ( 0.000 -10.678 4.945) 11.767 3.500 ( 0.000 10.678 4.945) 11.767 5.604 ( 0.000 -3.330 -1.622) 3.704 5.604 ( 0.000 3.330 -1.622) 3.704 5.724 ( 0.000 -0.313 -6.776) 6.783 5.724 ( 0.000 0.313 -6.776) 6.783 7.049 ( 0.000 -3.232 0.827) 3.336 7.049 ( 0.000 3.232 0.827) 3.336 7.791 ( 0.000 -0.445 -3.574) 3.602 7.791 ( 0.000 0.445 -3.574) 3.602 8.631 ( 0.000 -5.101 -9.129) 10.457 8.631 ( 0.000 5.101 -9.129) 10.457 9.318 ( 0.000 -4.987 -5.632) 7.523 9.318 ( 0.000 4.987 -5.632) 7.523 9.909 ( 0.000 -2.842 0.608) 2.906 9.909 ( 0.000 2.842 0.608) 2.906 10.041 ( 0.000 -1.584 0.054) 1.585 10.041 ( 0.000 1.584 0.054) 1.585 12.119 ( 0.000 -9.388 6.773) 11.576 12.119 ( 0.000 9.388 6.773) 11.576 12.468 ( 0.000 -2.964 7.730) 8.279 12.468 ( 0.000 2.964 7.730) 8.279 13.189 ( 0.000 -2.854 -4.408) 5.251 13.189 ( 0.000 2.854 -4.408) 5.251 13.429 ( 0.000 -4.883 -2.925) 5.692 13.429 ( 0.000 4.883 -2.925) 5.692 15.553 ( 0.000 -0.996 0.503) 1.116 15.553 ( 0.000 0.996 0.503) 1.116 15.754 ( 0.000 -0.856 3.035) 3.153 15.754 ( 0.000 0.856 3.035) 3.153 29.357 ( 0.000 -2.620 0.782) 2.734 29.357 ( 0.000 2.620 0.782) 2.734 29.501 ( 0.000 -0.082 0.582) 0.587 29.501 ( 0.000 0.082 0.582) 0.587 31.920 ( 0.000 -2.686 -1.076) 2.893 31.920 ( 0.000 2.686 -1.076) 2.893 32.003 ( 0.000 -3.967 -0.378) 3.985 32.003 ( 0.000 3.967 -0.378) 3.985 83.548 ( 0.000 -0.816 1.872) 2.042 83.548 ( 0.000 0.816 1.872) 2.042 83.821 ( 0.000 -1.791 2.500) 3.075 83.821 ( 0.000 1.791 2.500) 3.075 ======================= Grid point 262 (95/144) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.726 -4.780 -5.200) 8.498 2.596 ( 4.726 4.780 -5.200) 8.498 2.855 ( 0.037 -6.020 -5.245) 7.985 2.855 ( 0.037 6.020 -5.245) 7.985 3.173 ( 1.314 -6.032 -0.094) 6.174 3.173 ( 1.314 6.032 -0.094) 6.174 3.463 ( -3.862 -11.006 4.621) 12.546 3.463 ( -3.862 11.006 4.621) 12.546 5.614 ( 1.093 -3.251 -2.124) 4.034 5.614 ( 1.093 3.251 -2.124) 4.034 5.712 ( -1.244 -1.235 -6.319) 6.558 5.712 ( -1.244 1.235 -6.319) 6.558 7.097 ( 5.116 -3.490 0.677) 6.230 7.097 ( 5.116 3.490 0.677) 6.230 7.679 ( -10.541 -3.754 -2.737) 11.519 7.679 ( -10.541 3.754 -2.737) 11.519 8.726 ( 8.891 -6.073 -9.404) 14.296 8.726 ( 8.891 6.073 -9.404) 14.296 9.262 ( -5.758 -5.265 -6.916) 10.426 9.262 ( -5.758 5.265 -6.916) 10.426 9.948 ( 3.796 -2.831 1.236) 4.894 9.948 ( 3.796 2.831 1.236) 4.894 10.060 ( 1.478 -1.886 0.077) 2.397 10.060 ( 1.478 1.886 0.077) 2.397 12.132 ( 1.595 -9.138 7.052) 11.653 12.132 ( 1.595 9.138 7.052) 11.653 12.414 ( -5.323 -4.350 7.806) 10.402 12.414 ( -5.323 4.350 7.806) 10.402 13.210 ( 2.156 -3.109 -4.305) 5.732 13.210 ( 2.156 3.110 -4.305) 5.732 13.401 ( -2.729 -4.738 -3.162) 6.316 13.401 ( -2.729 4.738 -3.162) 6.316 15.580 ( 2.660 -1.028 0.774) 2.955 15.580 ( 2.660 1.028 0.774) 2.955 15.742 ( -1.326 -1.005 2.800) 3.257 15.742 ( -1.326 1.005 2.800) 3.257 29.371 ( 1.390 -2.459 0.767) 2.927 29.371 ( 1.390 2.459 0.767) 2.927 29.487 ( -1.452 -0.695 0.605) 1.720 29.487 ( -1.452 0.695 0.605) 1.720 31.928 ( 0.848 -2.801 -1.014) 3.097 31.928 ( 0.848 2.801 -1.014) 3.097 31.995 ( -0.786 -3.837 -0.450) 3.943 31.995 ( -0.786 3.837 -0.450) 3.943 83.574 ( 2.694 -1.000 1.930) 3.461 83.574 ( 2.694 1.000 1.930) 3.461 83.795 ( -2.681 -1.747 2.438) 4.023 83.795 ( -2.681 1.747 2.438) 4.023 ======================= Grid point 264 (96/144) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 6.566 -4.117 -5.692) 9.616 2.707 ( 6.566 4.117 -5.692) 9.616 2.816 ( -4.405 -4.097 -5.817) 8.369 2.816 ( -4.405 4.097 -5.817) 8.369 3.239 ( 5.753 -9.410 2.068) 11.221 3.239 ( 5.753 9.410 2.068) 11.221 3.362 ( -6.560 -11.130 3.666) 13.429 3.362 ( -6.560 11.130 3.666) 13.429 5.643 ( 1.882 -2.917 -3.447) 4.892 5.643 ( 1.882 2.917 -3.447) 4.892 5.680 ( -1.978 -2.227 -5.065) 5.876 5.680 ( -1.978 2.227 -5.065) 5.876 7.238 ( 9.789 -4.086 0.064) 10.607 7.238 ( 9.789 4.086 0.064) 10.607 7.452 ( -12.528 -4.520 -1.174) 13.370 7.452 ( -12.528 4.520 -1.174) 13.370 8.920 ( 10.929 -6.288 -9.508) 15.792 8.920 ( 10.929 6.288 -9.508) 15.792 9.115 ( -9.522 -5.803 -8.715) 14.153 9.115 ( -9.522 5.803 -8.715) 14.153 10.027 ( 3.902 -2.318 1.313) 4.724 10.027 ( 3.902 2.318 1.313) 4.725 10.072 ( -0.672 -2.001 0.567) 2.185 10.072 ( -0.672 2.001 0.567) 2.185 12.187 ( 4.384 -8.250 7.602) 12.045 12.187 ( 4.384 8.250 7.602) 12.045 12.294 ( -6.696 -6.555 7.882) 12.245 12.294 ( -6.696 6.555 7.882) 12.245 13.265 ( 3.524 -3.696 -4.056) 6.522 13.265 ( 3.524 3.696 -4.056) 6.522 13.336 ( -3.907 -4.314 -3.650) 6.870 13.336 ( -3.907 4.314 -3.650) 6.870 15.642 ( 3.586 -1.112 1.433) 4.019 15.642 ( 3.586 1.112 1.433) 4.019 15.703 ( -2.776 -1.149 2.194) 3.720 15.703 ( -2.776 1.149 2.194) 3.720 29.406 ( 2.278 -2.016 0.725) 3.127 29.406 ( 2.278 2.016 0.725) 3.127 29.451 ( -2.316 -1.388 0.663) 2.780 29.451 ( -2.316 1.388 0.663) 2.780 31.950 ( 1.340 -3.109 -0.848) 3.490 31.950 ( 1.340 3.109 -0.848) 3.490 31.975 ( -1.302 -3.504 -0.633) 3.792 31.975 ( -1.302 3.504 -0.633) 3.792 83.643 ( 4.352 -1.334 2.083) 5.006 83.643 ( 4.352 1.334 2.083) 5.006 83.727 ( -4.344 -1.600 2.277) 5.159 83.727 ( -4.344 1.600 2.277) 5.159 ======================= Grid point 300 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.000 10.912) 10.912 1.686 ( 0.000 0.000 15.206) 15.206 1.808 ( 0.000 0.000 -5.384) 5.384 2.156 ( 0.000 0.000 -8.476) 8.476 2.438 ( 0.000 0.000 7.543) 7.543 2.700 ( 0.000 0.000 -5.319) 5.319 2.829 ( 0.000 0.000 11.271) 11.271 2.960 ( 0.000 0.000 0.675) 0.675 3.829 ( 0.000 0.000 5.527) 5.527 3.981 ( 0.000 0.000 -0.961) 0.961 4.947 ( 0.000 0.000 12.255) 12.255 5.177 ( 0.000 0.000 1.409) 1.409 7.275 ( 0.000 0.000 3.353) 3.353 7.401 ( 0.000 0.000 -2.657) 2.657 7.499 ( 0.000 0.000 5.702) 5.702 7.668 ( 0.000 0.000 -4.272) 4.272 8.239 ( 0.000 0.000 1.776) 1.776 8.318 ( 0.000 0.000 -2.040) 2.040 8.470 ( 0.000 0.000 3.047) 3.047 8.547 ( 0.000 0.000 -2.448) 2.448 9.869 ( 0.000 0.000 -6.306) 6.306 9.974 ( 0.000 0.000 -11.033) 11.033 10.436 ( 0.000 0.000 11.554) 11.554 10.933 ( 0.000 0.000 -15.312) 15.312 11.820 ( 0.000 0.000 2.091) 2.091 11.888 ( 0.000 0.000 -1.204) 1.204 11.912 ( 0.000 0.000 2.506) 2.506 12.000 ( 0.000 0.000 -1.740) 1.740 12.518 ( 0.000 0.000 10.125) 10.125 12.747 ( 0.000 0.000 -2.719) 2.719 12.776 ( 0.000 0.000 10.990) 10.990 13.399 ( 0.000 0.000 -17.181) 17.181 16.484 ( 0.000 0.000 11.307) 11.307 16.718 ( 0.000 0.000 -2.663) 2.663 17.329 ( 0.000 0.000 1.996) 1.996 17.412 ( 0.000 0.000 -2.055) 2.055 28.206 ( 0.000 0.000 6.008) 6.008 28.233 ( 0.000 0.000 5.364) 5.364 28.480 ( 0.000 0.000 -5.309) 5.309 28.494 ( 0.000 0.000 -4.882) 4.882 31.765 ( 0.000 0.000 6.049) 6.049 31.919 ( 0.000 0.000 -1.150) 1.150 32.669 ( 0.000 0.000 0.269) 0.269 32.705 ( 0.000 0.000 -1.291) 1.291 83.959 ( 0.000 0.000 10.215) 10.215 84.151 ( 0.000 0.000 2.204) 2.204 86.183 ( 0.000 0.000 29.833) 29.833 87.286 ( 0.000 0.000 -23.932) 23.932 ======================= Grid point 301 (98/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -4.065 0.000 8.762) 9.659 1.688 ( -11.019 0.000 -4.172) 11.782 1.723 ( 3.782 0.000 13.608) 14.124 2.088 ( -6.244 0.000 -3.197) 7.015 2.488 ( 4.339 0.000 3.151) 5.363 2.685 ( -1.577 0.000 -4.931) 5.176 2.883 ( 5.009 0.000 9.946) 11.137 3.012 ( 3.877 0.000 0.549) 3.916 3.837 ( 2.329 0.000 8.178) 8.503 4.032 ( 3.386 0.000 -0.585) 3.436 4.937 ( -0.646 0.000 10.852) 10.871 5.136 ( -4.197 0.000 1.650) 4.510 7.286 ( 1.156 0.000 2.874) 3.098 7.388 ( -1.332 0.000 -1.963) 2.372 7.533 ( 3.503 0.000 5.596) 6.602 7.695 ( 2.056 0.000 -3.041) 3.670 8.248 ( 0.849 0.000 1.292) 1.546 8.311 ( -0.701 0.000 -1.769) 1.903 8.424 ( -2.166 0.000 3.043) 3.735 8.575 ( 0.403 0.000 -5.051) 5.067 9.891 ( 3.329 0.000 -3.763) 5.024 10.085 ( 10.403 0.000 -11.944) 15.839 10.371 ( -6.233 0.000 10.327) 12.062 10.870 ( -6.895 0.000 -16.212) 17.617 11.825 ( 0.520 0.000 2.051) 2.116 11.876 ( -0.958 0.000 0.454) 1.060 11.927 ( 1.166 0.000 0.758) 1.391 11.994 ( -0.707 0.000 -1.609) 1.758 12.506 ( -0.735 0.000 11.013) 11.037 12.646 ( -5.259 0.000 9.893) 11.204 12.920 ( 9.387 0.000 -2.540) 9.725 13.362 ( -3.901 0.000 -16.264) 16.725 16.568 ( 8.736 0.000 10.414) 13.594 16.778 ( 6.203 0.000 -2.215) 6.587 17.272 ( -5.991 0.000 1.309) 6.133 17.319 ( -9.447 0.000 -0.234) 9.450 28.209 ( 0.267 0.000 5.950) 5.956 28.231 ( -0.269 0.000 5.429) 5.436 28.481 ( 0.142 0.000 -5.271) 5.273 28.493 ( -0.140 0.000 -4.926) 4.928 31.786 ( 2.104 0.000 4.943) 5.373 31.910 ( -1.009 0.000 -0.768) 1.269 32.671 ( 0.232 0.000 0.195) 0.303 32.701 ( -0.445 0.000 -1.109) 1.195 83.971 ( 1.306 0.000 10.050) 10.134 84.125 ( -2.549 0.000 3.832) 4.602 86.270 ( 9.059 0.000 24.862) 26.461 87.155 ( -13.100 0.000 -17.860) 22.149 ======================= Grid point 302 (99/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.924 0.000 3.844) 3.953 1.478 ( -9.552 0.000 -1.030) 9.607 1.821 ( 6.467 0.000 9.389) 11.401 1.954 ( -7.485 0.000 3.619) 8.314 2.572 ( 4.271 0.000 -1.218) 4.442 2.642 ( -3.069 0.000 -3.673) 4.787 2.983 ( 4.974 0.000 6.548) 8.223 3.045 ( -1.008 0.000 2.480) 2.677 3.934 ( 7.111 0.000 8.839) 11.345 4.043 ( -3.043 0.000 3.994) 5.021 4.951 ( 2.763 0.000 6.580) 7.137 5.037 ( -5.701 0.000 2.889) 6.391 7.316 ( 1.945 0.000 1.542) 2.482 7.355 ( -2.052 0.000 -0.290) 2.072 7.620 ( 5.259 0.000 4.718) 7.065 7.700 ( -2.337 0.000 1.257) 2.653 8.269 ( 1.285 0.000 0.170) 1.296 8.293 ( -1.195 0.000 -0.983) 1.547 8.438 ( 3.807 0.000 -1.561) 4.115 8.531 ( -4.704 0.000 -5.979) 7.607 10.002 ( 8.193 0.000 1.653) 8.358 10.170 ( -7.930 0.000 4.800) 9.270 10.388 ( 14.242 0.000 -12.308) 18.824 10.673 ( -13.877 0.000 -16.580) 21.621 11.839 ( 0.886 0.000 1.886) 2.084 11.857 ( -1.029 0.000 1.451) 1.780 11.951 ( 1.356 0.000 -0.477) 1.437 11.975 ( -1.200 0.000 -1.206) 1.701 12.510 ( 1.376 0.000 12.805) 12.879 12.559 ( -3.805 0.000 13.032) 13.576 13.100 ( 9.347 0.000 -8.948) 12.939 13.257 ( -7.174 0.000 -13.508) 15.295 16.792 ( 14.409 0.000 7.868) 16.417 16.933 ( 9.575 0.000 -0.515) 9.589 17.079 ( -14.535 0.000 2.698) 14.783 17.125 ( -9.758 0.000 0.310) 9.763 28.216 ( 0.433 0.000 5.794) 5.810 28.224 ( -0.434 0.000 5.595) 5.612 28.485 ( 0.229 0.000 -5.170) 5.175 28.489 ( -0.227 0.000 -5.038) 5.043 31.834 ( 2.749 0.000 2.573) 3.766 31.881 ( -2.081 0.000 0.460) 2.131 32.678 ( 0.527 0.000 -0.107) 0.538 32.690 ( -0.659 0.000 -0.632) 0.913 84.008 ( 2.653 0.000 9.171) 9.547 84.067 ( -3.406 0.000 6.948) 7.738 86.510 ( 16.097 0.000 12.305) 20.262 86.845 ( -18.552 0.000 -3.554) 18.889 ======================= Grid point 305 (100/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 5.924 9.606) 11.286 1.785 ( 0.000 2.751 0.453) 2.788 1.973 ( 0.000 19.712 9.093) 21.708 2.345 ( 0.000 15.310 -6.668) 16.699 2.577 ( 0.000 12.031 7.634) 14.249 2.840 ( 0.000 12.205 -5.317) 13.313 2.910 ( 0.000 8.652 9.326) 12.721 3.040 ( 0.000 9.443 -0.806) 9.478 3.857 ( 0.000 3.283 5.046) 6.020 3.991 ( 0.000 1.198 -0.495) 1.296 4.920 ( 0.000 -2.656 11.738) 12.035 5.146 ( 0.000 -2.967 1.082) 3.158 7.345 ( 0.000 2.690 3.166) 4.155 7.416 ( 0.000 0.462 -0.834) 0.954 7.566 ( 0.000 8.659 4.810) 9.906 7.737 ( 0.000 6.799 -4.129) 7.954 8.284 ( 0.000 3.604 3.504) 5.027 8.406 ( 0.000 7.443 -2.444) 7.834 8.481 ( 0.000 2.097 2.119) 2.982 8.591 ( 0.000 5.236 -4.970) 7.219 9.848 ( 0.000 -1.941 -5.515) 5.847 9.928 ( 0.000 -4.195 -9.122) 10.040 10.403 ( 0.000 -3.053 10.239) 10.684 10.825 ( 0.000 -9.468 -11.986) 15.274 11.846 ( 0.000 0.949 1.590) 1.852 11.913 ( 0.000 -5.094 -0.626) 5.132 11.937 ( 0.000 4.884 1.518) 5.115 12.008 ( 0.000 10.107 -2.990) 10.540 12.534 ( 0.000 0.171 12.207) 12.208 12.779 ( 0.000 2.446 -1.911) 3.104 12.861 ( 0.000 6.998 5.076) 8.645 13.363 ( 0.000 -3.508 -15.902) 16.284 16.430 ( 0.000 -5.165 10.672) 11.856 16.653 ( 0.000 -6.185 -2.613) 6.715 17.241 ( 0.000 -8.415 1.632) 8.572 17.298 ( 0.000 -10.794 -0.930) 10.834 28.263 ( 0.000 5.407 5.715) 7.868 28.308 ( 0.000 6.999 4.129) 8.126 28.541 ( 0.000 5.932 -4.962) 7.733 28.554 ( 0.000 5.733 -4.380) 7.215 31.760 ( 0.000 -0.438 5.716) 5.733 31.905 ( 0.000 -1.310 -1.050) 1.679 32.646 ( 0.000 -2.234 0.155) 2.239 32.676 ( 0.000 -2.840 -1.125) 3.054 83.930 ( 0.000 -2.725 9.415) 9.801 84.095 ( 0.000 -5.266 2.654) 5.898 86.042 ( 0.000 -13.454 27.694) 30.789 87.004 ( 0.000 -26.125 -18.137) 31.803 ======================= Grid point 306 (101/144) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -4.087 6.003 7.918) 10.744 1.691 ( -9.258 2.134 -1.540) 9.625 1.987 ( 2.646 21.164 11.208) 24.095 2.302 ( -4.530 17.613 -2.426) 18.347 2.632 ( 4.980 12.537 3.432) 13.920 2.834 ( -0.829 12.886 -4.910) 13.815 2.944 ( 3.308 6.868 8.273) 11.250 3.069 ( 2.121 7.073 -0.559) 7.405 3.867 ( 2.563 3.483 7.619) 8.761 4.046 ( 3.781 1.648 -0.415) 4.146 4.908 ( -0.783 -2.798 10.430) 10.827 5.105 ( -4.203 -2.973 1.309) 5.312 7.367 ( 2.187 3.995 2.966) 5.435 7.428 ( 0.993 2.527 -0.450) 2.752 7.571 ( 0.678 5.600 4.901) 7.473 7.729 ( -1.275 3.680 -2.470) 4.612 8.289 ( 1.115 3.387 3.424) 4.944 8.399 ( -0.620 8.121 -1.932) 8.371 8.476 ( 0.165 5.473 0.555) 5.504 8.611 ( 0.647 4.391 -6.865) 8.174 9.872 ( 3.426 -1.696 -3.494) 5.179 10.029 ( 9.851 -5.135 -10.045) 14.977 10.336 ( -6.631 -3.167 9.393) 11.926 10.762 ( -6.863 -9.579 -12.772) 17.378 11.850 ( 0.557 0.337 2.100) 2.198 11.917 ( -0.294 2.133 0.505) 2.212 11.936 ( 0.528 -0.195 0.786) 0.966 12.008 ( -0.274 8.764 -2.820) 9.211 12.532 ( 0.096 0.946 12.007) 12.044 12.699 ( -5.253 4.619 4.184) 8.151 12.963 ( 7.534 3.495 -1.994) 8.541 13.331 ( -3.364 -3.063 -14.938) 15.615 16.510 ( 8.246 -5.611 9.848) 14.017 16.712 ( 5.994 -6.384 -2.233) 9.037 17.185 ( -5.995 -8.370 0.960) 10.340 17.213 ( -8.530 -9.987 0.723) 13.154 28.267 ( 0.426 5.541 5.599) 7.889 28.304 ( -0.478 6.827 4.329) 8.097 28.542 ( 0.121 5.900 -4.918) 7.682 28.553 ( -0.124 5.753 -4.452) 7.276 31.779 ( 1.943 -0.595 4.703) 5.123 31.896 ( -0.977 -1.282 -0.681) 1.749 32.648 ( 0.186 -2.276 0.104) 2.286 32.672 ( -0.366 -2.766 -0.970) 2.954 83.941 ( 1.140 -2.863 9.282) 9.780 84.073 ( -2.150 -4.890 4.011) 6.680 86.118 ( 8.026 -14.360 23.360) 28.571 86.892 ( -11.247 -24.466 -13.158) 29.970 ======================= Grid point 307 (102/144) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.193 5.669 4.201) 7.059 1.511 ( -8.060 4.045 0.383) 9.026 2.071 ( 5.890 20.943 8.664) 23.417 2.193 ( -6.635 19.894 3.625) 21.283 2.728 ( 4.694 13.714 -1.236) 14.548 2.799 ( -2.867 13.901 -3.820) 14.699 3.020 ( 4.182 4.425 5.533) 8.227 3.078 ( -1.561 4.423 1.627) 4.965 3.965 ( 6.868 3.429 8.221) 11.248 4.066 ( -2.515 2.582 3.724) 5.182 4.920 ( 2.698 -3.048 6.255) 7.463 5.006 ( -5.746 -3.038 2.543) 6.980 7.413 ( 2.251 7.266 1.934) 7.848 7.438 ( -0.295 6.760 0.512) 6.786 7.604 ( 3.124 -0.949 4.725) 5.743 7.678 ( -4.005 -1.844 1.956) 4.823 8.333 ( 3.013 5.658 1.200) 6.522 8.379 ( -1.699 7.943 -0.684) 8.151 8.507 ( 3.309 7.068 -3.595) 8.593 8.582 ( -3.627 5.552 -7.436) 9.964 9.982 ( 8.085 -1.763 1.200) 8.361 10.149 ( -7.660 -1.801 3.930) 8.796 10.299 ( 13.075 -8.138 -9.717) 18.210 10.570 ( -13.290 -9.230 -13.349) 20.977 11.869 ( 1.406 1.281 2.606) 3.226 11.897 ( -1.454 3.614 2.195) 4.471 11.960 ( 1.683 0.876 -0.463) 1.953 11.992 ( -1.468 5.133 -1.670) 5.594 12.550 ( 2.028 2.852 10.511) 11.078 12.609 ( -4.150 4.476 7.777) 9.887 13.110 ( 7.735 0.547 -7.661) 10.901 13.242 ( -6.077 -1.706 -12.107) 13.653 16.721 ( 13.568 -6.845 7.480) 16.938 16.862 ( 9.442 -6.862 -0.971) 11.713 16.987 ( -13.810 -8.659 3.436) 16.658 17.045 ( -9.380 -7.654 0.206) 12.108 28.278 ( 0.710 5.909 5.268) 7.948 28.292 ( -0.741 6.398 4.791) 8.027 28.545 ( 0.205 5.842 -4.795) 7.561 28.549 ( -0.207 5.794 -4.620) 7.413 31.824 ( 2.573 -0.916 2.504) 3.705 31.868 ( -1.983 -1.166 0.501) 2.355 32.653 ( 0.435 -2.401 -0.132) 2.444 32.663 ( -0.547 -2.589 -0.566) 2.706 83.973 ( 2.296 -3.310 8.538) 9.441 84.023 ( -2.910 -4.067 6.641) 8.313 86.331 ( 14.173 -16.931 12.426) 25.336 86.623 ( -16.136 -20.703 -1.188) 26.276 ======================= Grid point 310 (103/144) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 11.147 6.621) 12.965 1.861 ( 0.000 5.281 -0.130) 5.283 2.342 ( 0.000 12.083 10.503) 16.010 2.586 ( 0.000 5.917 -2.417) 6.391 2.885 ( 0.000 15.883 7.505) 17.567 3.160 ( 0.000 16.886 -5.974) 17.912 3.198 ( 0.000 20.228 5.907) 21.073 3.388 ( 0.000 24.285 -5.147) 24.825 4.009 ( 0.000 12.998 3.222) 13.392 4.058 ( 0.000 6.512 1.718) 6.734 4.845 ( 0.000 -4.352 9.727) 10.656 5.058 ( 0.000 -5.704 0.031) 5.705 7.331 ( 0.000 -2.811 3.984) 4.875 7.399 ( 0.000 -2.013 0.402) 2.053 7.766 ( 0.000 6.231 5.451) 8.279 7.892 ( 0.000 6.228 -1.294) 6.361 8.378 ( 0.000 6.261 1.619) 6.467 8.494 ( 0.000 2.963 -2.442) 3.839 8.667 ( 0.000 13.605 -0.635) 13.619 8.785 ( 0.000 13.210 -6.979) 14.940 9.801 ( 0.000 -2.250 -3.700) 4.330 9.835 ( 0.000 -3.805 -5.878) 7.002 10.325 ( 0.000 -4.253 6.668) 7.908 10.593 ( 0.000 -12.477 -6.538) 14.086 11.870 ( 0.000 1.740 1.059) 2.036 11.891 ( 0.000 5.027 -1.218) 5.173 12.117 ( 0.000 11.624 2.144) 11.820 12.250 ( 0.000 11.453 -3.639) 12.017 12.531 ( 0.000 1.113 10.291) 10.352 12.819 ( 0.000 1.103 -1.335) 1.731 12.989 ( 0.000 4.477 -1.043) 4.597 13.257 ( 0.000 -6.846 -12.450) 14.208 16.283 ( 0.000 -8.900 8.924) 12.604 16.476 ( 0.000 -10.885 -2.410) 11.149 17.000 ( 0.000 -17.447 1.300) 17.496 17.002 ( 0.000 -14.563 0.775) 14.584 28.417 ( 0.000 9.474 4.977) 10.702 28.497 ( 0.000 10.896 1.503) 10.999 28.714 ( 0.000 10.626 -3.934) 11.331 28.718 ( 0.000 9.977 -3.114) 10.452 31.749 ( 0.000 -0.520 4.791) 4.819 31.870 ( 0.000 -2.003 -0.822) 2.165 32.580 ( 0.000 -4.165 -0.156) 4.168 32.593 ( 0.000 -5.156 -0.705) 5.204 83.854 ( 0.000 -4.574 7.371) 8.675 83.954 ( 0.000 -8.054 3.483) 8.775 85.668 ( 0.000 -22.189 22.221) 31.402 86.320 ( 0.000 -38.300 -7.232) 38.976 ======================= Grid point 311 (104/144) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -3.924 11.206 5.737) 13.186 1.783 ( -7.167 6.735 -0.065) 9.835 2.377 ( 3.811 12.944 10.981) 17.397 2.604 ( 0.288 8.323 -0.493) 8.342 2.924 ( 4.043 13.847 5.328) 15.377 3.144 ( -1.738 14.792 -4.592) 15.586 3.210 ( 1.584 21.693 4.729) 22.259 3.379 ( -1.243 23.309 -4.797) 23.830 4.018 ( 2.667 12.134 5.704) 13.670 4.129 ( 4.885 7.794 0.402) 9.207 4.828 ( -1.313 -4.746 8.727) 10.021 5.016 ( -4.275 -5.747 0.234) 7.166 7.364 ( 3.641 -2.822 4.442) 6.399 7.441 ( 4.216 -1.307 0.430) 4.434 7.710 ( -5.038 3.633 5.259) 8.139 7.833 ( -6.417 5.262 -0.665) 8.325 8.382 ( 2.964 5.846 3.679) 7.516 8.584 ( 5.721 8.372 -4.929) 11.274 8.652 ( -1.005 11.813 -0.302) 11.860 8.794 ( 0.444 13.247 -8.336) 15.658 9.835 ( 3.670 -1.480 -3.255) 5.124 9.905 ( 7.476 -6.058 -5.664) 11.166 10.260 ( -6.537 -3.817 6.003) 9.661 10.529 ( -6.715 -12.174 -7.068) 15.596 11.855 ( 0.610 2.423 2.950) 3.866 11.957 ( 4.768 5.278 -2.024) 7.395 12.083 ( -3.473 9.772 3.122) 10.831 12.220 ( -3.079 10.249 -2.721) 11.042 12.558 ( 2.760 3.084 7.902) 8.920 12.785 ( -3.254 3.152 -0.661) 4.579 13.024 ( 3.313 1.704 -2.447) 4.458 13.235 ( -2.255 -6.352 -11.526) 13.352 16.351 ( 6.944 -9.630 8.288) 14.480 16.528 ( 5.395 -11.238 -2.172) 12.653 16.928 ( -7.156 -16.309 2.012) 17.923 16.957 ( -5.007 -14.359 0.725) 15.224 28.425 ( 0.751 9.628 4.743) 10.759 28.489 ( -0.808 10.796 1.964) 11.003 28.713 ( -0.042 10.388 -3.789) 11.057 28.718 ( -0.036 10.136 -3.364) 10.680 31.765 ( 1.539 -0.755 4.001) 4.353 31.862 ( -0.867 -1.935 -0.493) 2.177 32.580 ( 0.052 -4.253 -0.143) 4.256 32.591 ( -0.161 -5.028 -0.629) 5.070 83.861 ( 0.765 -4.749 7.318) 8.758 83.942 ( -1.198 -7.525 4.239) 8.720 85.721 ( 5.571 -23.479 19.322) 30.913 86.247 ( -7.396 -36.394 -4.289) 37.384 ======================= Grid point 312 (105/144) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.719 11.053 3.800) 11.710 1.651 ( -5.500 9.456 1.545) 11.047 2.470 ( 5.575 13.623 9.098) 17.304 2.566 ( -4.120 12.205 4.678) 13.705 3.016 ( 5.013 11.814 1.073) 12.878 3.096 ( -3.423 12.551 -2.076) 13.174 3.262 ( 3.737 22.205 1.482) 22.566 3.334 ( -3.467 22.247 -2.469) 22.650 4.106 ( 5.671 11.258 6.079) 13.996 4.178 ( -0.775 9.386 2.846) 9.839 4.829 ( 2.319 -5.690 5.013) 7.930 4.914 ( -5.889 -5.893 1.401) 8.448 7.465 ( 6.801 -2.617 5.005) 8.840 7.543 ( 6.432 1.072 0.806) 6.570 7.598 ( -6.787 -0.817 5.065) 8.508 7.683 ( -8.401 3.374 0.929) 9.101 8.479 ( 6.138 8.154 2.708) 10.559 8.579 ( -4.097 10.743 0.777) 11.524 8.709 ( 4.744 11.626 -7.162) 14.456 8.779 ( -2.378 13.166 -9.197) 16.235 9.940 ( 7.502 -2.075 -0.170) 7.786 10.094 ( 1.180 -8.976 0.130) 9.054 10.115 ( 2.482 -2.827 -3.319) 5.017 10.350 ( -12.053 -10.911 -7.689) 17.984 11.901 ( 4.102 3.218 4.982) 7.211 11.995 ( -5.333 5.929 4.837) 9.327 12.052 ( 5.035 7.193 -2.262) 9.067 12.145 ( -4.677 8.900 -2.056) 10.262 12.627 ( 4.323 5.240 3.907) 7.836 12.710 ( -4.417 5.150 1.017) 6.861 13.098 ( 4.353 -2.117 -5.565) 7.375 13.177 ( -3.819 -4.822 -8.991) 10.894 16.527 ( 11.263 -11.660 6.430) 17.440 16.662 ( 8.066 -12.378 -1.791) 14.882 16.749 ( -10.941 -13.929 4.672) 18.318 16.828 ( -8.286 -13.150 -0.034) 15.544 28.444 ( 1.248 10.022 4.053) 10.883 28.469 ( -1.285 10.479 3.012) 10.979 28.713 ( 0.104 10.216 -3.716) 10.871 28.716 ( -0.148 10.189 -3.602) 10.808 31.801 ( 2.109 -1.261 2.232) 3.319 31.837 ( -1.698 -1.699 0.543) 2.462 32.583 ( 0.195 -4.466 -0.209) 4.476 32.587 ( -0.262 -4.750 -0.418) 4.775 83.882 ( 1.467 -5.337 6.902) 8.847 83.913 ( -1.733 -6.374 5.766) 8.768 85.868 ( 9.771 -27.013 11.996) 31.130 86.068 ( -10.888 -31.874 3.109) 33.825 ======================= Grid point 315 (106/144) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.000 14.578 3.155) 14.915 1.996 ( 0.000 7.632 2.087) 7.912 2.490 ( 0.000 4.601 8.106) 9.321 2.632 ( 0.000 -0.052 -0.954) 0.956 3.060 ( 0.000 1.635 6.378) 6.585 3.361 ( 0.000 2.252 -7.771) 8.091 3.739 ( 0.000 29.330 5.194) 29.786 3.984 ( 0.000 31.488 -6.857) 32.226 4.250 ( 0.000 9.006 8.242) 12.209 4.389 ( 0.000 22.704 0.761) 22.717 4.788 ( 0.000 1.574 3.262) 3.622 4.920 ( 0.000 -7.255 -1.855) 7.489 7.258 ( 0.000 -4.058 3.723) 5.507 7.344 ( 0.000 -3.243 0.236) 3.251 7.773 ( 0.000 -3.823 8.552) 9.368 7.948 ( 0.000 -0.395 0.284) 0.487 8.507 ( 0.000 4.593 -2.812) 5.385 8.553 ( 0.000 2.187 -4.715) 5.197 8.950 ( 0.000 12.913 0.984) 12.950 9.084 ( 0.000 14.989 -5.676) 16.028 9.771 ( 0.000 -0.409 -1.903) 1.947 9.797 ( 0.000 -0.366 -4.542) 4.557 10.244 ( 0.000 -3.452 2.060) 4.020 10.345 ( 0.000 -11.176 -2.071) 11.367 11.974 ( 0.000 7.596 3.677) 8.439 12.070 ( 0.000 12.155 -2.693) 12.449 12.359 ( 0.000 -0.255 8.418) 8.422 12.381 ( 0.000 13.429 1.922) 13.566 12.685 ( 0.000 13.283 -4.753) 14.108 12.821 ( 0.000 -0.649 -1.775) 1.890 13.037 ( 0.000 0.751 -4.306) 4.371 13.095 ( 0.000 -8.523 -7.374) 11.270 16.083 ( 0.000 -10.369 6.519) 12.247 16.228 ( 0.000 -12.938 -1.978) 13.088 16.624 ( 0.000 -18.542 2.852) 18.760 16.672 ( 0.000 -17.079 0.004) 17.079 28.636 ( 0.000 11.659 4.131) 12.369 28.734 ( 0.000 12.061 -0.542) 12.073 28.943 ( 0.000 11.650 -1.673) 11.769 28.954 ( 0.000 12.335 -2.721) 12.632 31.743 ( 0.000 -0.013 3.463) 3.463 31.830 ( 0.000 -1.771 -0.593) 1.868 32.471 ( 0.000 -6.625 -0.207) 6.628 32.480 ( 0.000 -5.577 -0.582) 5.607 83.753 ( 0.000 -5.103 4.911) 7.082 83.788 ( 0.000 -7.722 3.757) 8.588 85.180 ( 0.000 -24.658 15.453) 29.100 85.532 ( 0.000 -37.418 0.410) 37.420 ======================= Grid point 316 (107/144) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -4.085 12.723 3.559) 13.828 1.961 ( -3.929 11.188 1.209) 11.920 2.528 ( 3.890 4.056 8.571) 10.249 2.670 ( 2.462 0.129 -0.372) 2.494 3.083 ( 2.743 1.822 6.147) 6.974 3.339 ( -2.373 3.258 -5.447) 6.776 3.768 ( 2.791 29.434 3.562) 29.779 3.961 ( -2.354 30.939 -5.984) 31.600 4.289 ( 4.180 9.826 7.715) 13.174 4.425 ( 3.316 21.096 0.560) 21.363 4.759 ( -2.840 0.656 2.720) 3.987 4.880 ( -4.101 -6.629 -1.889) 8.020 7.289 ( 3.351 -4.214 4.393) 6.949 7.391 ( 4.746 -3.288 0.150) 5.776 7.692 ( -7.023 -3.916 7.648) 11.097 7.885 ( -7.163 -0.408 -1.169) 7.269 8.492 ( 4.068 3.827 2.531) 6.132 8.723 ( 11.047 4.417 -8.199) 14.449 8.899 ( -4.730 11.025 1.977) 12.159 9.091 ( -0.187 14.398 -7.501) 16.236 9.815 ( 4.138 -2.461 -1.943) 5.192 9.829 ( 3.934 0.909 -3.427) 5.296 10.196 ( -4.772 -2.344 1.557) 5.540 10.300 ( -4.717 -9.574 -2.567) 10.978 11.963 ( 0.062 7.352 5.336) 9.084 12.128 ( 4.841 10.905 -3.583) 12.458 12.257 ( -7.010 5.003 7.966) 11.731 12.402 ( -1.066 9.594 0.853) 9.691 12.713 ( 2.816 11.604 -3.748) 12.515 12.825 ( 0.222 0.950 -2.020) 2.243 13.030 ( -0.639 -0.576 -4.145) 4.233 13.081 ( -1.420 -8.286 -6.938) 10.899 16.135 ( 5.355 -11.069 6.138) 13.744 16.273 ( 4.604 -13.290 -1.836) 14.184 16.572 ( -5.298 -17.651 3.266) 18.716 16.635 ( -3.993 -16.646 -0.078) 17.118 28.646 ( 1.017 11.757 3.814) 12.402 28.726 ( -0.872 12.117 0.058) 12.148 28.941 ( -0.099 11.664 -1.901) 11.818 28.952 ( -0.193 12.175 -2.658) 12.463 31.753 ( 1.057 -0.246 2.930) 3.124 31.823 ( -0.665 -1.657 -0.336) 1.817 32.471 ( 0.045 -6.480 -0.199) 6.483 32.479 ( -0.093 -5.702 -0.526) 5.727 83.757 ( 0.434 -5.203 4.949) 7.194 83.786 ( -0.203 -7.281 3.971) 8.297 85.208 ( 2.915 -25.816 13.955) 29.491 85.492 ( -4.017 -36.094 1.818) 36.363 ======================= Grid point 317 (108/144) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -1.054 13.324 3.007) 13.699 1.884 ( -3.284 13.200 1.846) 13.727 2.614 ( 4.566 2.743 6.899) 8.716 2.678 ( -1.817 1.137 3.019) 3.702 3.166 ( 5.712 2.671 3.585) 7.253 3.271 ( -4.885 3.728 -0.813) 6.199 3.832 ( 3.777 29.892 0.311) 30.131 3.903 ( -3.640 30.267 -3.261) 30.659 4.394 ( 6.168 12.631 5.736) 15.182 4.469 ( -0.370 18.222 2.631) 18.415 4.717 ( 0.142 -2.823 0.183) 2.833 4.783 ( -5.527 -4.815 -1.794) 7.546 7.381 ( 6.246 -4.780 5.672) 9.697 7.480 ( 0.249 -4.768 3.667) 6.021 7.581 ( -0.022 -2.114 2.566) 3.325 7.715 ( -9.679 -0.786 -1.237) 9.790 8.625 ( 8.631 5.245 4.238) 10.953 8.780 ( -7.277 7.987 3.111) 11.244 8.920 ( 8.765 7.437 -9.479) 14.899 9.049 ( -4.670 11.424 -9.623) 15.650 9.904 ( 5.393 -1.794 -0.854) 5.748 9.939 ( 5.073 -3.599 -0.774) 6.268 10.099 ( -3.218 0.306 -1.440) 3.539 10.177 ( -7.775 -5.211 -3.520) 10.000 12.000 ( 4.015 5.762 7.618) 10.361 12.107 ( -6.943 4.307 7.753) 11.263 12.242 ( 5.590 11.375 -3.041) 13.034 12.343 ( -4.692 10.632 -2.280) 11.842 12.774 ( 3.203 8.915 -2.702) 9.851 12.818 ( -1.272 5.206 -2.377) 5.863 13.025 ( 0.470 -4.345 -4.462) 6.246 13.048 ( -1.766 -7.304 -5.767) 9.473 16.269 ( 8.462 -12.996 5.029) 16.303 16.381 ( 5.036 -14.372 -1.432) 15.296 16.446 ( -6.272 -15.362 4.358) 17.156 16.530 ( -6.819 -15.487 -0.313) 16.925 28.672 ( 1.626 11.978 2.880) 12.426 28.703 ( -1.549 12.137 1.464) 12.322 28.942 ( 0.161 11.711 -2.293) 11.934 28.947 ( -0.329 11.901 -2.549) 12.175 31.778 ( 1.501 -0.782 1.694) 2.395 31.805 ( -1.261 -1.314 0.456) 1.877 32.473 ( 0.140 -6.205 -0.241) 6.212 32.476 ( -0.169 -5.944 -0.380) 5.959 83.768 ( 0.671 -5.580 4.868) 7.435 83.780 ( -0.530 -6.351 4.469) 7.784 85.286 ( 5.265 -28.876 10.116) 31.047 85.394 ( -5.942 -32.774 5.500) 33.759 ======================= Grid point 320 (109/144) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 7.130 4.650) 8.512 2.284 ( 0.000 15.656 -0.697) 15.672 2.582 ( 0.000 5.241 3.948) 6.562 2.616 ( 0.000 -0.916 -0.155) 0.929 3.021 ( 0.000 -4.264 4.329) 6.076 3.303 ( 0.000 -6.661 -8.577) 10.860 4.214 ( 0.000 11.544 5.927) 12.977 4.228 ( 0.000 -8.125 10.384) 13.185 4.629 ( 0.000 28.518 -4.114) 28.813 4.840 ( 0.000 4.133 -2.876) 5.035 4.864 ( 0.000 22.344 -2.540) 22.488 4.998 ( 0.000 16.392 -3.498) 16.761 7.174 ( 0.000 -3.942 3.500) 5.271 7.271 ( 0.000 -3.748 -0.496) 3.780 7.678 ( 0.000 -4.319 7.154) 8.357 7.903 ( 0.000 -3.394 -0.600) 3.447 8.543 ( 0.000 -0.500 -3.047) 3.088 8.572 ( 0.000 -0.100 -6.428) 6.429 9.146 ( 0.000 5.664 3.594) 6.708 9.355 ( 0.000 10.303 -5.951) 11.899 9.775 ( 0.000 -2.242 -2.062) 3.046 9.791 ( 0.000 2.472 -1.771) 3.040 10.171 ( 0.000 -5.306 -0.031) 5.306 10.184 ( 0.000 -2.693 -0.765) 2.799 12.120 ( 0.000 4.681 9.294) 10.406 12.351 ( 0.000 14.089 -3.790) 14.590 12.354 ( 0.000 2.003 7.307) 7.577 12.594 ( 0.000 3.963 -2.228) 4.546 12.826 ( 0.000 2.925 -0.063) 2.925 12.955 ( 0.000 -2.963 -0.381) 2.987 12.962 ( 0.000 11.624 -7.245) 13.697 13.051 ( 0.000 2.306 -6.216) 6.630 15.876 ( 0.000 -9.639 4.115) 10.480 15.968 ( 0.000 -12.065 -1.378) 12.143 16.275 ( 0.000 -15.196 3.115) 15.512 16.332 ( 0.000 -15.765 -0.091) 15.765 28.880 ( 0.000 11.897 3.372) 12.366 28.977 ( 0.000 11.455 -1.328) 11.532 29.174 ( 0.000 10.608 -0.555) 10.623 29.194 ( 0.000 10.746 -1.662) 10.874 31.753 ( 0.000 1.094 1.974) 2.257 31.804 ( 0.000 -0.665 -0.422) 0.787 32.329 ( 0.000 -7.172 0.205) 7.175 32.357 ( 0.000 -6.369 -1.001) 6.447 83.653 ( 0.000 -5.237 3.114) 6.093 83.655 ( 0.000 -4.304 2.852) 5.163 84.695 ( 0.000 -22.301 9.201) 24.124 84.836 ( 0.000 -30.279 3.459) 30.476 ======================= Grid point 321 (110/144) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -1.230 9.422 4.215) 10.395 2.248 ( -3.497 15.319 -0.582) 15.724 2.599 ( 2.118 3.781 4.455) 6.215 2.654 ( 2.410 -1.075 -0.501) 2.685 3.050 ( 3.481 -3.885 4.709) 7.028 3.305 ( -0.436 -5.436 -6.498) 8.483 4.218 ( 1.116 0.483 7.053) 7.157 4.252 ( 1.753 0.624 6.571) 6.829 4.616 ( -0.930 27.849 -2.921) 28.017 4.789 ( -4.883 6.312 -2.441) 8.345 4.886 ( 2.035 21.838 -2.898) 22.123 4.995 ( -0.537 16.558 -3.891) 17.017 7.203 ( 3.094 -3.957 4.053) 6.454 7.317 ( 4.553 -3.828 -0.576) 5.976 7.601 ( -6.740 -4.141 6.677) 10.351 7.838 ( -7.203 -3.587 -2.579) 8.450 8.530 ( 4.635 0.404 1.626) 4.929 8.754 ( 12.194 -0.916 -8.868) 15.105 9.062 ( -7.760 4.583 3.981) 9.852 9.324 ( -4.311 6.893 -8.390) 11.683 9.796 ( 4.011 0.410 0.841) 4.119 9.863 ( 5.076 2.488 -2.515) 6.187 10.156 ( -1.831 -2.505 -0.643) 3.169 10.166 ( -1.574 -2.891 -0.894) 3.411 12.104 ( -1.048 4.912 9.571) 10.809 12.290 ( -5.430 3.302 6.275) 8.931 12.398 ( 3.763 11.632 -2.223) 12.426 12.590 ( -0.860 5.053 -3.229) 6.058 12.837 ( 1.188 1.853 0.058) 2.202 12.940 ( -1.456 -2.577 -0.069) 2.961 12.965 ( 0.361 10.256 -7.117) 12.489 13.039 ( -1.261 2.893 -6.232) 6.986 15.916 ( 4.137 -10.057 3.981) 11.580 16.007 ( 3.983 -12.304 -1.237) 12.992 16.238 ( -3.803 -14.616 3.243) 15.447 16.303 ( -3.081 -15.349 -0.179) 15.656 28.891 ( 1.156 11.942 3.052) 12.380 28.971 ( -0.664 11.626 -0.765) 11.670 29.172 ( -0.178 10.506 -0.738) 10.534 29.189 ( -0.436 10.646 -1.644) 10.781 31.759 ( 0.622 0.908 1.676) 2.005 31.800 ( -0.376 -0.512 -0.259) 0.686 32.331 ( 0.250 -7.104 0.105) 7.109 32.354 ( -0.297 -6.459 -0.873) 6.525 83.657 ( 0.389 -4.601 3.119) 5.572 83.661 ( 0.464 -4.610 2.877) 5.454 84.702 ( 0.817 -23.134 8.648) 24.711 84.816 ( -1.926 -29.590 3.989) 29.919 ======================= Grid point 322 (111/144) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 1.142 12.943 2.888) 13.311 2.177 ( -3.560 14.906 0.919) 15.353 2.645 ( 2.282 1.144 3.179) 4.077 2.673 ( -0.461 -0.935 0.836) 1.336 3.151 ( 6.596 -3.250 3.391) 8.097 3.262 ( -4.434 -3.605 -1.166) 5.832 4.255 ( 2.253 -2.736 4.289) 5.564 4.276 ( 0.309 -0.150 3.746) 3.762 4.616 ( 1.508 23.334 -0.972) 23.403 4.684 ( -5.447 13.116 -1.048) 14.240 4.930 ( 2.516 20.221 -3.824) 20.733 4.973 ( -1.840 18.104 -4.179) 18.671 7.288 ( 5.756 -4.040 5.180) 8.734 7.387 ( -1.647 -3.977 3.632) 5.632 7.515 ( 2.514 -3.944 0.835) 4.751 7.665 ( -10.073 -3.680 -2.889) 11.107 8.685 ( 10.454 1.051 4.113) 11.283 8.885 ( -10.252 2.576 3.986) 11.297 8.987 ( 11.783 -0.444 -9.812) 15.340 9.190 ( -9.454 1.994 -10.105) 13.981 9.897 ( 5.459 2.132 1.572) 6.067 9.941 ( 1.881 2.411 -0.475) 3.095 10.114 ( -1.528 0.659 -1.851) 2.489 10.129 ( -2.255 -0.509 -2.138) 3.149 12.108 ( 1.927 4.312 9.719) 10.806 12.180 ( -5.498 3.419 8.573) 10.743 12.478 ( 4.385 9.927 -3.817) 11.504 12.551 ( -3.188 7.542 -4.288) 9.243 12.867 ( 1.932 -0.333 0.265) 1.979 12.906 ( -2.074 -1.956 0.273) 2.864 12.980 ( 1.258 7.538 -6.704) 10.166 13.009 ( -1.739 4.719 -6.366) 8.112 16.018 ( 6.377 -11.237 3.640) 13.424 16.103 ( 5.125 -12.612 -0.928) 13.646 16.144 ( -5.216 -13.574 3.545) 14.967 16.220 ( -5.531 -14.360 -0.374) 15.392 28.919 ( 1.749 12.006 2.099) 12.313 28.951 ( -1.464 11.916 0.641) 12.022 29.171 ( 0.211 10.372 -1.182) 10.441 29.179 ( -0.573 10.448 -1.529) 10.575 31.774 ( 0.884 0.441 0.968) 1.384 31.790 ( -0.733 -0.099 0.231) 0.775 32.338 ( 0.432 -6.921 -0.174) 6.936 32.346 ( -0.460 -6.678 -0.549) 6.716 83.665 ( 0.374 -4.288 3.091) 5.299 83.667 ( 0.160 -4.371 2.958) 5.281 84.728 ( 1.909 -25.255 7.191) 26.328 84.771 ( -2.600 -27.721 5.402) 28.362 ======================= Grid point 325 (112/144) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 4.564 4.547) 6.443 2.522 ( 0.000 2.721 -6.445) 6.996 2.681 ( 0.000 12.062 2.756) 12.373 2.723 ( 0.000 8.324 1.769) 8.510 2.921 ( 0.000 -4.560 1.048) 4.679 3.123 ( 0.000 -10.316 -8.410) 13.310 3.988 ( 0.000 -13.888 9.675) 16.925 4.151 ( 0.000 -12.374 2.578) 12.640 5.117 ( 0.000 17.650 -1.821) 17.744 5.142 ( 0.000 21.144 -4.722) 21.665 5.270 ( 0.000 16.670 -2.732) 16.892 5.326 ( 0.000 14.102 -3.802) 14.605 7.105 ( 0.000 -2.663 3.910) 4.731 7.195 ( 0.000 -3.653 -0.770) 3.734 7.621 ( 0.000 -1.162 1.625) 1.998 7.825 ( 0.000 -4.114 -2.792) 4.972 8.516 ( 0.000 -1.499 -1.788) 2.333 8.561 ( 0.000 -0.761 -6.944) 6.985 9.193 ( 0.000 -0.028 2.919) 2.919 9.431 ( 0.000 -3.270 -8.381) 8.996 9.775 ( 0.000 3.601 2.964) 4.664 9.859 ( 0.000 3.525 -1.527) 3.841 10.107 ( 0.000 -1.955 -0.515) 2.022 10.127 ( 0.000 -2.945 -0.816) 3.056 12.146 ( 0.000 -0.360 11.126) 11.132 12.452 ( 0.000 5.700 6.009) 8.282 12.511 ( 0.000 -5.939 -6.555) 8.845 12.581 ( 0.000 4.222 -0.326) 4.234 12.910 ( 0.000 5.860 2.557) 6.393 13.057 ( 0.000 2.481 -5.345) 5.893 13.062 ( 0.000 10.271 1.520) 10.383 13.222 ( 0.000 9.234 -6.938) 11.551 15.702 ( 0.000 -7.117 2.226) 7.457 15.750 ( 0.000 -9.006 -0.758) 9.038 16.016 ( 0.000 -10.129 2.651) 10.470 16.050 ( 0.000 -11.504 0.591) 11.520 29.108 ( 0.000 10.243 2.637) 10.577 29.189 ( 0.000 9.094 -1.266) 9.182 29.362 ( 0.000 7.545 0.066) 7.545 29.378 ( 0.000 7.111 -0.682) 7.143 31.790 ( 0.000 2.553 0.557) 2.613 31.806 ( 0.000 1.006 -0.289) 1.046 32.184 ( 0.000 -6.872 0.447) 6.887 32.224 ( 0.000 -6.535 -1.273) 6.658 83.580 ( 0.000 -1.921 1.936) 2.727 83.585 ( 0.000 -2.362 1.662) 2.888 84.288 ( 0.000 -17.357 4.500) 17.931 84.309 ( 0.000 -21.260 3.760) 21.590 ======================= Grid point 326 (113/144) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 2.747 6.293 4.099) 7.997 2.521 ( -0.698 7.842 -5.502) 9.605 2.657 ( -1.550 4.613 1.761) 5.175 2.719 ( -1.006 7.980 0.605) 8.065 2.959 ( 4.346 -4.113 2.314) 6.415 3.156 ( 2.370 -8.179 -6.445) 10.680 3.979 ( -0.342 -14.565 8.480) 16.857 4.133 ( -2.014 -13.518 2.001) 13.813 5.107 ( -0.889 18.658 -1.664) 18.754 5.128 ( -1.304 21.232 -3.922) 21.630 5.283 ( 1.141 16.316 -3.180) 16.662 5.326 ( -0.038 14.193 -3.864) 14.709 7.136 ( 3.290 -2.458 4.044) 5.764 7.240 ( 4.608 -3.649 -1.099) 5.980 7.544 ( -6.995 -1.325 2.668) 7.603 7.754 ( -7.424 -4.443 -4.139) 9.591 8.532 ( 5.287 0.203 0.619) 5.327 8.711 ( 11.170 -2.770 -8.409) 14.253 9.103 ( -8.569 0.254 2.593) 8.956 9.343 ( -8.254 -3.850 -8.682) 12.583 9.846 ( 6.474 4.092 2.852) 8.173 9.924 ( 5.374 3.020 -1.314) 6.303 10.111 ( 0.222 -1.793 -0.485) 1.871 10.127 ( 0.010 -1.890 -1.006) 2.141 12.147 ( 0.360 0.629 10.980) 11.004 12.379 ( -6.145 4.488 5.859) 9.604 12.529 ( 1.018 -4.692 -4.836) 6.815 12.581 ( -0.309 1.704 -1.218) 2.117 12.921 ( 1.084 6.538 2.245) 6.998 13.034 ( -1.987 9.030 -0.129) 9.247 13.076 ( 1.176 4.341 -3.862) 5.928 13.202 ( -1.961 8.630 -6.796) 11.158 15.736 ( 3.479 -7.331 2.264) 8.425 15.785 ( 3.526 -9.176 -0.570) 9.846 15.989 ( -2.808 -9.734 2.633) 10.468 16.029 ( -2.277 -11.139 0.444) 11.379 29.120 ( 1.210 10.266 2.381) 10.608 29.188 ( -0.207 9.397 -0.855) 9.438 29.356 ( -0.502 7.297 -0.011) 7.315 29.372 ( -0.606 7.038 -0.720) 7.101 31.793 ( 0.299 2.440 0.462) 2.501 31.806 ( -0.027 1.185 -0.221) 1.206 32.187 ( 0.319 -6.887 0.273) 6.900 32.220 ( -0.463 -6.609 -1.119) 6.719 83.589 ( 0.846 -1.749 1.904) 2.720 83.593 ( 0.765 -2.028 1.670) 2.736 84.281 ( -0.625 -17.935 4.434) 18.486 84.298 ( -1.039 -21.134 3.839) 21.505 ======================= Grid point 327 (114/144) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 5.123 10.073 2.595) 11.595 2.470 ( -4.667 13.197 -0.620) 14.011 2.653 ( 1.150 -0.826 -1.379) 1.977 2.687 ( -2.098 3.345 -1.271) 4.148 3.071 ( 6.567 -3.504 2.451) 7.837 3.163 ( -2.408 -4.938 -1.435) 5.678 4.000 ( 2.858 -15.855 4.716) 16.786 4.073 ( -4.171 -15.438 1.905) 16.104 5.095 ( -0.163 20.378 -1.729) 20.451 5.103 ( -1.046 21.213 -2.584) 21.395 5.305 ( 1.117 15.489 -3.693) 15.962 5.321 ( -0.560 14.661 -3.890) 15.178 7.226 ( 6.128 -1.896 4.093) 7.609 7.326 ( -0.164 -2.011 0.951) 2.230 7.434 ( 0.614 -3.616 0.584) 3.714 7.579 ( -10.138 -4.528 -3.698) 11.703 8.694 ( 10.900 0.409 1.946) 11.080 8.909 ( -11.025 0.365 1.845) 11.184 8.935 ( 11.764 -3.860 -9.063) 15.344 9.156 ( -11.233 -4.163 -9.257) 15.140 9.966 ( 5.174 3.599 2.055) 6.630 10.003 ( 1.770 2.975 0.183) 3.467 10.112 ( 0.134 -0.818 -0.944) 1.256 10.123 ( -0.608 -0.553 -1.477) 1.690 12.173 ( 2.806 2.592 10.146) 10.841 12.258 ( -6.001 4.024 8.210) 10.936 12.547 ( 1.019 -4.502 -3.980) 6.095 12.567 ( -1.036 -2.346 -2.770) 3.775 12.949 ( 1.862 8.044 1.650) 8.420 12.990 ( -2.457 9.293 0.997) 9.664 13.108 ( 2.254 5.204 -5.369) 7.809 13.156 ( -2.716 7.076 -6.291) 9.850 15.820 ( 5.092 -8.050 2.417) 9.827 15.869 ( 4.696 -9.932 0.032) 10.986 15.918 ( -4.227 -8.546 2.312) 9.811 15.965 ( -4.389 -10.259 0.106) 11.159 29.149 ( 1.705 10.268 1.593) 10.530 29.177 ( -1.083 9.997 0.317) 10.061 29.350 ( 0.045 6.885 -0.364) 6.894 29.358 ( -0.731 6.858 -0.687) 6.931 31.799 ( 0.350 2.107 0.229) 2.148 31.805 ( -0.181 1.626 -0.032) 1.637 32.196 ( 0.592 -6.876 -0.175) 6.904 32.208 ( -0.682 -6.766 -0.707) 6.837 83.605 ( 0.607 -1.407 1.814) 2.374 83.606 ( 0.433 -1.470 1.716) 2.301 84.271 ( -0.205 -19.316 4.262) 19.782 84.278 ( -0.868 -20.566 4.036) 20.976 ======================= Grid point 330 (115/144) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 4.357 0.210) 4.362 2.510 ( 0.000 -1.816 -5.190) 5.499 2.792 ( 0.000 -2.397 1.107) 2.640 2.899 ( 0.000 -7.074 -5.074) 8.705 2.971 ( 0.000 10.158 -0.604) 10.176 2.994 ( 0.000 12.032 -2.025) 12.201 3.704 ( 0.000 -12.723 7.551) 14.795 3.849 ( 0.000 -15.654 1.191) 15.699 5.427 ( 0.000 11.689 -0.970) 11.729 5.475 ( 0.000 11.310 -4.353) 12.118 5.528 ( 0.000 8.328 -3.708) 9.116 5.539 ( 0.000 6.368 -3.093) 7.080 7.072 ( 0.000 -0.552 3.743) 3.784 7.127 ( 0.000 -2.889 0.261) 2.901 7.627 ( 0.000 1.487 -4.444) 4.686 7.742 ( 0.000 -3.827 -5.606) 6.788 8.499 ( 0.000 -0.010 -1.271) 1.271 8.542 ( 0.000 -1.178 -5.465) 5.591 9.187 ( 0.000 0.150 -0.509) 0.531 9.316 ( 0.000 -6.054 -6.237) 8.692 9.866 ( 0.000 4.079 2.086) 4.581 9.917 ( 0.000 1.877 -0.572) 1.962 10.069 ( 0.000 -2.401 0.194) 2.409 10.070 ( 0.000 -1.721 -0.444) 1.778 12.157 ( 0.000 1.942 8.366) 8.588 12.359 ( 0.000 -7.319 -1.117) 7.404 12.544 ( 0.000 3.242 5.677) 6.538 12.614 ( 0.000 -0.415 2.434) 2.469 13.050 ( 0.000 6.069 -0.437) 6.085 13.111 ( 0.000 2.281 -3.592) 4.255 13.261 ( 0.000 8.199 0.005) 8.199 13.358 ( 0.000 3.809 -4.859) 6.174 15.594 ( 0.000 -3.397 0.984) 3.536 15.610 ( 0.000 -4.583 -0.139) 4.585 15.859 ( 0.000 -5.278 2.271) 5.746 15.870 ( 0.000 -6.043 1.435) 6.211 29.285 ( 0.000 6.770 1.760) 6.995 29.335 ( 0.000 4.801 -0.643) 4.844 29.476 ( 0.000 3.569 0.266) 3.579 29.481 ( 0.000 3.061 0.094) 3.063 31.845 ( 0.000 2.710 -0.196) 2.717 31.855 ( 0.000 3.704 -0.606) 3.753 32.055 ( 0.000 -5.596 0.523) 5.621 32.095 ( 0.000 -6.006 -1.227) 6.130 83.563 ( 0.000 0.223 1.337) 1.356 83.571 ( 0.000 0.714 1.013) 1.239 83.972 ( 0.000 -11.539 2.820) 11.878 83.996 ( 0.000 -11.035 1.775) 11.176 ======================= Grid point 331 (116/144) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 4.779 4.748 0.028) 6.736 2.548 ( 3.797 -1.400 -5.238) 6.619 2.765 ( -3.336 1.079 -0.059) 3.507 2.850 ( -4.252 -1.655 -4.462) 6.382 2.990 ( 3.272 10.141 1.267) 10.731 3.068 ( 5.344 4.150 -2.269) 7.136 3.680 ( -2.104 -13.730 6.839) 15.483 3.817 ( -3.404 -16.222 0.877) 16.598 5.427 ( 0.056 11.911 -1.155) 11.967 5.465 ( -0.938 11.617 -3.770) 12.249 5.533 ( 0.436 7.950 -3.822) 8.832 5.540 ( 0.143 6.409 -3.125) 7.132 7.108 ( 3.844 -0.266 3.463) 5.181 7.171 ( 4.653 -2.971 -0.218) 5.525 7.546 ( -7.612 1.340 -2.246) 8.049 7.665 ( -7.725 -4.118 -5.403) 10.287 8.549 ( 6.320 1.523 -1.065) 6.588 8.652 ( 9.300 -2.976 -6.798) 11.898 9.105 ( -7.882 0.641 -1.012) 7.972 9.236 ( -7.710 -5.518 -6.825) 11.683 9.925 ( 5.360 3.197 2.160) 6.604 9.971 ( 4.755 1.382 -0.324) 4.962 10.074 ( 0.817 -1.572 0.378) 1.812 10.090 ( 1.313 -1.700 -0.562) 2.221 12.173 ( 1.785 2.340 8.397) 8.898 12.367 ( 0.739 -6.117 -0.592) 6.190 12.485 ( -5.392 2.647 6.127) 8.580 12.580 ( -3.503 -1.513 1.811) 4.224 13.067 ( 1.759 6.201 -0.435) 6.460 13.133 ( 2.231 2.467 -3.786) 5.040 13.235 ( -2.586 7.881 -0.084) 8.295 13.329 ( -2.821 3.569 -4.826) 6.632 15.625 ( 3.118 -3.488 1.133) 4.814 15.643 ( 3.269 -4.631 0.045) 5.669 15.839 ( -2.115 -5.007 2.195) 5.862 15.855 ( -1.723 -5.903 1.256) 6.276 29.298 ( 1.276 6.818 1.621) 7.124 29.341 ( 0.604 5.242 -0.486) 5.299 29.463 ( -1.128 3.222 0.402) 3.437 29.473 ( -0.851 2.921 -0.042) 3.043 31.849 ( 0.366 2.931 -0.190) 2.960 31.858 ( 0.201 3.785 -0.534) 3.827 32.056 ( 0.143 -5.819 0.313) 5.829 32.089 ( -0.609 -6.093 -1.114) 6.224 83.579 ( 1.567 0.798 1.357) 2.221 83.588 ( 1.590 1.249 0.971) 2.243 83.957 ( -1.409 -12.095 2.766) 12.487 83.978 ( -1.746 -11.575 1.845) 11.851 ======================= Grid point 332 (117/144) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 7.526 5.147 -0.412) 9.126 2.639 ( 4.683 -0.619 -4.142) 6.282 2.667 ( -5.850 5.024 -1.713) 7.899 2.754 ( -5.801 0.862 -4.604) 7.456 3.081 ( 5.269 6.372 2.507) 8.640 3.136 ( 0.521 4.579 0.160) 4.611 3.662 ( 1.289 -16.615 3.855) 17.105 3.731 ( -5.131 -17.274 1.036) 18.049 5.432 ( 0.497 12.201 -1.747) 12.336 5.446 ( -0.965 12.087 -2.712) 12.425 5.540 ( 0.270 7.229 -3.675) 8.114 5.542 ( 0.015 6.668 -3.334) 7.455 7.212 ( 7.121 0.524 2.434) 7.543 7.290 ( 6.440 -2.113 -1.388) 6.919 7.388 ( -7.092 -0.403 0.450) 7.118 7.488 ( -10.115 -4.171 -3.535) 11.498 8.715 ( 10.649 1.832 -1.482) 10.906 8.849 ( 11.227 -4.232 -7.900) 14.366 8.923 ( -10.950 1.352 -1.600) 11.148 9.058 ( -10.721 -4.887 -7.728) 14.091 10.023 ( 4.108 1.961 1.752) 4.878 10.048 ( 2.177 1.347 0.382) 2.589 10.089 ( 0.734 -1.145 0.361) 1.407 10.104 ( -0.129 -1.126 -0.520) 1.247 12.231 ( 4.536 3.282 8.165) 9.900 12.336 ( -5.764 3.390 6.355) 9.225 12.429 ( 1.943 -5.527 1.030) 5.949 12.499 ( -4.634 -3.867 0.878) 6.099 13.112 ( 2.947 6.665 -0.443) 7.301 13.172 ( -2.829 7.256 -0.961) 7.847 13.191 ( 2.922 2.723 -3.557) 5.349 13.263 ( -3.994 3.054 -4.611) 6.822 15.698 ( 4.229 -3.760 1.515) 5.858 15.718 ( 3.988 -4.758 0.534) 6.231 15.785 ( -3.212 -4.564 1.840) 5.877 15.805 ( -3.458 -5.521 0.862) 6.572 29.327 ( 1.678 6.962 1.153) 7.254 29.348 ( -0.243 6.524 0.199) 6.531 29.445 ( -0.427 2.334 0.261) 2.387 29.453 ( -1.069 2.384 -0.091) 2.614 31.856 ( 0.369 3.435 -0.221) 3.461 31.860 ( -0.010 3.798 -0.360) 3.815 32.062 ( 0.511 -6.189 -0.212) 6.214 32.075 ( -0.807 -6.252 -0.764) 6.350 83.611 ( 1.384 2.159 1.255) 2.855 83.616 ( 0.917 2.451 1.020) 2.808 83.933 ( -0.700 -13.274 2.537) 13.532 83.943 ( -1.600 -12.937 2.117) 13.207 ======================= Grid point 335 (118/144) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.000 -4.248 -4.327) 6.064 2.450 ( 0.000 4.248 -4.327) 6.064 2.778 ( 0.000 -2.372 -2.018) 3.114 2.778 ( 0.000 2.372 -2.018) 3.114 3.148 ( 0.000 -2.779 -0.656) 2.855 3.148 ( 0.000 2.779 -0.656) 2.855 3.590 ( 0.000 -5.809 3.593) 6.831 3.590 ( 0.000 5.809 3.593) 6.831 5.576 ( 0.000 -2.703 -1.384) 3.036 5.576 ( 0.000 2.703 -1.384) 3.036 5.602 ( 0.000 -1.107 -4.502) 4.636 5.602 ( 0.000 1.107 -4.502) 4.636 7.082 ( 0.000 -1.458 2.218) 2.654 7.082 ( 0.000 1.458 2.218) 2.654 7.673 ( 0.000 -2.908 -6.987) 7.568 7.673 ( 0.000 2.908 -6.987) 7.568 8.515 ( 0.000 -1.328 -2.810) 3.108 8.515 ( 0.000 1.328 -2.810) 3.108 9.219 ( 0.000 -3.198 -3.833) 4.992 9.219 ( 0.000 3.198 -3.833) 4.992 9.924 ( 0.000 -1.386 0.672) 1.540 9.924 ( 0.000 1.386 0.672) 1.540 10.045 ( 0.000 -0.317 0.248) 0.403 10.045 ( 0.000 0.317 0.248) 0.403 12.230 ( 0.000 -5.131 4.037) 6.529 12.230 ( 0.000 5.131 4.037) 6.529 12.591 ( 0.000 -1.643 4.360) 4.659 12.591 ( 0.000 1.643 4.360) 4.659 13.126 ( 0.000 -1.280 -1.922) 2.309 13.126 ( 0.000 1.280 -1.922) 2.309 13.372 ( 0.000 -2.438 -2.416) 3.433 13.372 ( 0.000 2.438 -2.416) 3.433 15.562 ( 0.000 -0.294 0.358) 0.463 15.562 ( 0.000 0.294 0.358) 0.463 15.806 ( 0.000 -0.209 1.974) 1.985 15.806 ( 0.000 0.209 1.974) 1.985 29.371 ( 0.000 -1.366 0.560) 1.477 29.371 ( 0.000 1.366 0.560) 1.477 29.510 ( 0.000 -0.034 0.310) 0.312 29.510 ( 0.000 0.034 0.310) 0.312 31.902 ( 0.000 -1.421 -0.665) 1.569 31.902 ( 0.000 1.421 -0.665) 1.569 31.996 ( 0.000 -2.159 -0.258) 2.174 31.996 ( 0.000 2.159 -0.258) 2.174 83.580 ( 0.000 -0.585 1.186) 1.323 83.580 ( 0.000 0.585 1.186) 1.323 83.861 ( 0.000 -1.167 1.408) 1.828 83.861 ( 0.000 1.167 1.408) 1.828 ======================= Grid point 337 (119/144) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 4.582 -3.886 -4.261) 7.366 2.495 ( 4.582 3.886 -4.261) 7.366 2.777 ( -0.877 -2.184 -2.515) 3.445 2.777 ( -0.877 2.184 -2.515) 3.445 3.172 ( 3.077 -3.382 0.015) 4.572 3.172 ( 3.077 3.382 0.015) 4.572 3.546 ( -4.611 -5.974 3.257) 8.219 3.546 ( -4.611 5.974 3.257) 8.219 5.578 ( 0.225 -2.712 -1.632) 3.173 5.578 ( 0.225 2.712 -1.632) 3.173 5.599 ( -0.293 -1.507 -4.151) 4.426 5.599 ( -0.293 1.507 -4.151) 4.426 7.123 ( 4.380 -1.667 1.759) 5.006 7.123 ( 4.380 1.667 1.759) 5.006 7.591 ( -7.876 -3.015 -5.185) 9.900 7.591 ( -7.876 3.015 -5.185) 9.900 8.593 ( 7.617 -2.679 -3.893) 8.964 8.593 ( 7.617 2.679 -3.893) 8.964 9.144 ( -7.347 -3.257 -4.451) 9.187 9.144 ( -7.347 3.257 -4.451) 9.187 9.972 ( 4.355 -1.320 0.993) 4.658 9.972 ( 4.355 1.320 0.993) 4.658 10.063 ( 1.567 -0.647 0.202) 1.707 10.063 ( 1.567 0.647 0.202) 1.707 12.248 ( 2.015 -4.982 4.191) 6.815 12.248 ( 2.015 4.982 4.191) 6.815 12.539 ( -5.171 -2.379 4.436) 7.216 12.539 ( -5.171 2.379 4.436) 7.216 13.146 ( 2.099 -1.467 -2.037) 3.272 13.146 ( 2.099 1.467 -2.037) 3.272 13.342 ( -2.984 -2.379 -2.468) 4.545 13.342 ( -2.984 2.379 -2.468) 4.545 15.594 ( 3.135 -0.386 0.540) 3.204 15.594 ( 3.135 0.386 0.540) 3.204 15.790 ( -1.724 -0.391 1.832) 2.546 15.790 ( -1.724 0.391 1.832) 2.546 29.384 ( 1.347 -1.280 0.538) 1.935 29.384 ( 1.347 1.280 0.538) 1.935 29.497 ( -1.396 -0.355 0.336) 1.479 29.497 ( -1.396 0.355 0.336) 1.479 31.911 ( 0.953 -1.493 -0.629) 1.880 31.911 ( 0.953 1.493 -0.629) 1.880 31.988 ( -0.905 -2.089 -0.300) 2.297 31.988 ( -0.905 2.089 -0.300) 2.297 83.607 ( 2.772 -0.691 1.206) 3.101 83.607 ( 2.772 0.691 1.206) 3.101 83.834 ( -2.765 -1.140 1.386) 3.296 83.834 ( -2.765 1.140 1.386) 3.296 ======================= Grid point 339 (120/144) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 6.670 -3.010 -3.988) 8.334 2.606 ( 6.670 3.010 -3.988) 8.334 2.721 ( -5.024 -2.224 -3.417) 6.470 2.721 ( -5.024 2.224 -3.417) 6.470 3.274 ( 7.527 -5.099 1.323) 9.188 3.274 ( 7.527 5.099 1.323) 9.188 3.426 ( -7.845 -5.991 2.422) 10.164 3.426 ( -7.845 5.991 2.422) 10.164 5.584 ( 0.408 -2.594 -2.328) 3.509 5.584 ( 0.408 2.594 -2.328) 3.509 5.592 ( -0.451 -2.164 -3.288) 3.962 5.592 ( -0.451 2.164 -3.288) 3.962 7.242 ( 8.129 -2.174 0.328) 8.421 7.242 ( 8.129 2.174 0.328) 8.421 7.416 ( -9.972 -2.734 -2.109) 10.553 7.416 ( -9.972 2.734 -2.109) 10.553 8.770 ( 10.608 -3.411 -5.139) 12.270 8.770 ( 10.607 3.411 -5.139) 12.270 8.971 ( -10.465 -3.413 -5.248) 12.195 8.971 ( -10.465 3.413 -5.248) 12.195 10.052 ( 3.392 -0.941 0.995) 3.658 10.052 ( 3.392 0.941 0.995) 3.658 10.083 ( 0.015 -0.727 0.456) 0.859 10.083 ( 0.015 0.727 0.456) 0.859 12.311 ( 4.752 -4.470 4.465) 7.906 12.311 ( 4.752 4.470 4.465) 7.906 12.421 ( -6.683 -3.544 4.550) 8.828 12.421 ( -6.683 3.544 4.550) 8.828 13.200 ( 3.501 -1.840 -2.299) 4.575 13.200 ( 3.501 1.840 -2.299) 4.575 13.273 ( -4.086 -2.179 -2.481) 5.254 13.273 ( -4.086 2.179 -2.481) 5.254 15.667 ( 4.277 -0.518 0.975) 4.417 15.667 ( 4.277 0.518 0.975) 4.417 15.741 ( -3.423 -0.541 1.459) 3.761 15.741 ( -3.423 0.541 1.459) 3.761 29.419 ( 2.202 -1.044 0.480) 2.484 29.419 ( 2.202 1.044 0.480) 2.484 29.462 ( -2.233 -0.713 0.402) 2.378 29.462 ( -2.233 0.713 0.402) 2.378 31.935 ( 1.516 -1.679 -0.532) 2.324 31.935 ( 1.516 1.679 -0.532) 2.324 31.964 ( -1.487 -1.906 -0.406) 2.452 31.964 ( -1.487 1.906 -0.406) 2.452 83.677 ( 4.481 -0.890 1.260) 4.739 83.677 ( 4.481 0.890 1.260) 4.739 83.764 ( -4.477 -1.051 1.329) 4.787 83.764 ( -4.477 1.051 1.329) 4.787 ======================= Grid point 375 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.000 0.000 -8.698) 8.698 1.665 ( 0.000 0.000 8.698) 8.698 1.955 ( 0.000 0.000 -11.724) 11.724 1.955 ( 0.000 0.000 11.724) 11.724 2.581 ( 0.000 0.000 -6.633) 6.633 2.581 ( 0.000 0.000 6.633) 6.633 2.952 ( 0.000 0.000 -2.243) 2.243 2.952 ( 0.000 0.000 2.243) 2.243 3.933 ( 0.000 0.000 -4.100) 4.100 3.933 ( 0.000 0.000 4.100) 4.100 5.132 ( 0.000 0.000 -5.925) 5.925 5.132 ( 0.000 0.000 5.925) 5.925 7.342 ( 0.000 0.000 -3.214) 3.214 7.342 ( 0.000 0.000 3.214) 3.214 7.589 ( 0.000 0.000 -3.802) 3.802 7.589 ( 0.000 0.000 3.802) 3.802 8.277 ( 0.000 0.000 -1.977) 1.977 8.277 ( 0.000 0.000 1.977) 1.977 8.515 ( 0.000 0.000 -1.487) 1.487 8.515 ( 0.000 0.000 1.487) 1.487 9.824 ( 0.000 0.000 -2.799) 2.799 9.824 ( 0.000 0.000 2.799) 2.799 10.669 ( 0.000 0.000 -11.888) 11.888 10.669 ( 0.000 0.000 11.888) 11.888 11.859 ( 0.000 0.000 -1.723) 1.723 11.859 ( 0.000 0.000 1.723) 1.723 11.960 ( 0.000 0.000 -2.239) 2.239 11.960 ( 0.000 0.000 2.239) 2.239 12.667 ( 0.000 0.000 -5.427) 5.427 12.667 ( 0.000 0.000 5.427) 5.427 13.060 ( 0.000 0.000 -16.273) 16.273 13.060 ( 0.000 0.000 16.273) 16.273 16.645 ( 0.000 0.000 -5.270) 5.270 16.645 ( 0.000 0.000 5.270) 5.270 17.370 ( 0.000 0.000 -2.079) 2.079 17.370 ( 0.000 0.000 2.079) 2.079 28.302 ( 0.000 0.000 -1.427) 1.427 28.302 ( 0.000 0.000 1.427) 1.427 28.411 ( 0.000 0.000 -1.217) 1.217 28.411 ( 0.000 0.000 1.217) 1.217 31.868 ( 0.000 0.000 -3.998) 3.998 31.868 ( 0.000 0.000 3.998) 3.998 32.682 ( 0.000 0.000 -0.970) 0.970 32.682 ( 0.000 0.000 0.970) 0.970 84.119 ( 0.000 0.000 -5.222) 5.222 84.119 ( 0.000 0.000 5.222) 5.222 86.763 ( 0.000 0.000 -27.933) 27.933 86.763 ( 0.000 0.000 27.933) 27.933 ======================= Grid point 377 (122/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -7.998 0.000 -6.880) 10.550 1.576 ( -7.998 0.000 6.880) 10.550 1.955 ( 0.028 0.000 -9.490) 9.490 1.955 ( 0.028 0.000 9.490) 9.490 2.580 ( -0.017 0.000 -5.371) 5.371 2.580 ( -0.017 0.000 5.371) 5.371 2.998 ( 3.870 0.000 -2.542) 4.630 2.998 ( 3.870 0.000 2.542) 4.630 3.977 ( 4.213 0.000 -5.103) 6.618 3.977 ( 4.213 0.000 5.103) 6.618 5.101 ( -2.976 0.000 -5.162) 5.958 5.101 ( -2.976 0.000 5.162) 5.958 7.342 ( 0.015 0.000 -2.601) 2.601 7.342 ( 0.015 0.000 2.601) 2.601 7.624 ( 3.339 0.000 -3.929) 5.156 7.624 ( 3.339 0.000 3.929) 5.156 8.277 ( -0.027 0.000 -1.601) 1.601 8.277 ( -0.027 0.000 1.601) 1.601 8.492 ( -2.326 0.000 -3.632) 4.312 8.492 ( -2.326 0.000 3.632) 4.312 9.901 ( 8.062 0.000 -5.287) 9.641 9.901 ( 8.062 0.000 5.287) 9.641 10.595 ( -7.739 0.000 -12.034) 14.308 10.595 ( -7.739 0.000 12.034) 14.308 11.861 ( 0.266 0.000 -1.486) 1.510 11.861 ( 0.266 0.000 1.486) 1.510 11.958 ( -0.255 0.000 -1.903) 1.920 11.958 ( -0.255 0.000 1.903) 1.920 12.682 ( 1.438 0.000 -6.185) 6.350 12.682 ( 1.438 0.000 6.185) 6.350 13.046 ( -1.293 0.000 -14.234) 14.292 13.046 ( -1.293 0.000 14.234) 14.292 16.714 ( 7.150 0.000 -4.720) 8.567 16.714 ( 7.150 0.000 4.720) 8.567 17.301 ( -7.129 0.000 -1.425) 7.270 17.301 ( -7.129 0.000 1.425) 7.270 28.302 ( 0.032 0.000 -1.161) 1.162 28.302 ( 0.032 0.000 1.161) 1.162 28.411 ( -0.032 0.000 -0.991) 0.992 28.411 ( -0.032 0.000 0.991) 0.992 31.870 ( 0.250 0.000 -3.219) 3.229 31.870 ( 0.250 0.000 3.219) 3.229 32.681 ( -0.062 0.000 -0.792) 0.795 32.681 ( -0.062 0.000 0.792) 0.795 84.121 ( 0.112 0.000 -4.264) 4.266 84.121 ( 0.112 0.000 4.264) 4.266 86.745 ( -1.684 0.000 -22.555) 22.617 86.745 ( -1.684 0.000 22.555) 22.617 ======================= Grid point 379 (123/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -4.651 0.000 -2.589) 5.323 1.440 ( -4.651 0.000 2.589) 5.323 1.956 ( 0.017 0.000 -3.628) 3.628 1.956 ( 0.017 0.000 3.628) 3.628 2.580 ( -0.010 0.000 -2.055) 2.055 2.580 ( -0.010 0.000 2.055) 2.055 3.058 ( 1.858 0.000 -1.299) 2.266 3.058 ( 1.858 0.000 1.299) 2.266 4.056 ( 2.996 0.000 -2.873) 4.151 4.056 ( 2.996 0.000 2.873) 4.151 5.045 ( -2.158 0.000 -2.296) 3.151 5.045 ( -2.158 0.000 2.296) 3.151 7.342 ( 0.009 0.000 -0.994) 0.994 7.342 ( 0.009 0.000 0.994) 0.994 7.686 ( 2.358 0.000 -2.148) 3.190 7.686 ( 2.358 0.000 2.148) 3.190 8.276 ( -0.017 0.000 -0.612) 0.612 8.276 ( -0.017 0.000 0.612) 0.612 8.446 ( -1.830 0.000 -2.415) 3.030 8.446 ( -1.830 0.000 2.415) 3.030 10.103 ( 11.999 0.000 -7.997) 14.420 10.103 ( 11.999 0.000 7.997) 14.420 10.400 ( -11.687 0.000 -10.495) 15.707 10.400 ( -11.687 0.000 10.495) 15.707 11.866 ( 0.182 0.000 -0.640) 0.665 11.866 ( 0.182 0.000 0.640) 0.665 11.953 ( -0.176 0.000 -0.799) 0.818 11.953 ( -0.176 0.000 0.799) 0.818 12.707 ( 0.898 0.000 -3.479) 3.593 12.707 ( 0.898 0.000 3.479) 3.593 13.023 ( -0.810 0.000 -6.260) 6.312 13.023 ( -0.810 0.000 6.260) 6.312 16.895 ( 11.426 0.000 -3.156) 11.854 16.895 ( 11.426 0.000 3.156) 11.854 17.121 ( -11.417 0.000 -1.238) 11.484 17.121 ( -11.417 0.000 1.238) 11.484 28.303 ( 0.020 0.000 -0.448) 0.448 28.303 ( 0.020 0.000 0.448) 0.448 28.410 ( -0.020 0.000 -0.383) 0.383 28.410 ( -0.020 0.000 0.383) 0.383 31.875 ( 0.154 0.000 -1.220) 1.230 31.875 ( 0.154 0.000 1.220) 1.230 32.680 ( -0.039 0.000 -0.307) 0.310 32.680 ( -0.039 0.000 0.307) 0.310 84.123 ( 0.071 0.000 -1.654) 1.655 84.123 ( 0.071 0.000 1.654) 1.655 86.716 ( -1.038 0.000 -8.589) 8.652 86.716 ( -1.038 0.000 8.589) 8.652 ======================= Grid point 385 (124/144) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 3.511 -7.053) 7.879 1.697 ( 0.000 3.511 7.053) 7.879 2.181 ( 0.000 18.730 -9.766) 21.123 2.181 ( 0.000 18.730 9.766) 21.123 2.720 ( 0.000 12.247 -6.617) 13.921 2.720 ( 0.000 12.247 6.617) 13.921 3.016 ( 0.000 7.220 -2.306) 7.579 3.016 ( 0.000 7.220 2.306) 7.579 3.951 ( 0.000 2.214 -3.644) 4.264 3.951 ( 0.000 2.214 3.644) 4.264 5.099 ( 0.000 -3.269 -5.854) 6.705 5.099 ( 0.000 -3.269 5.854) 6.705 7.392 ( 0.000 2.399 -1.674) 2.925 7.392 ( 0.000 2.399 1.674) 2.925 7.655 ( 0.000 7.596 -4.148) 8.654 7.655 ( 0.000 7.596 4.148) 8.654 8.351 ( 0.000 5.930 -3.061) 6.674 8.351 ( 0.000 5.930 3.061) 6.674 8.524 ( 0.000 2.086 -2.289) 3.097 8.524 ( 0.000 2.086 2.289) 3.097 9.805 ( 0.000 -1.754 -2.133) 2.761 9.805 ( 0.000 -1.754 2.133) 2.761 10.608 ( 0.000 -5.612 -10.226) 11.664 10.608 ( 0.000 -5.612 10.226) 11.664 11.883 ( 0.000 -1.676 -1.956) 2.575 11.883 ( 0.000 -1.676 1.956) 2.575 11.967 ( 0.000 6.111 -1.537) 6.302 11.967 ( 0.000 6.111 1.537) 6.302 12.708 ( 0.000 2.720 -5.481) 6.119 12.708 ( 0.000 2.720 5.481) 6.119 13.059 ( 0.000 -0.156 -13.752) 13.753 13.059 ( 0.000 -0.156 13.752) 13.753 16.583 ( 0.000 -5.954 -5.052) 7.808 16.583 ( 0.000 -5.954 5.052) 7.808 17.273 ( 0.000 -9.303 -1.461) 9.417 17.273 ( 0.000 -9.303 1.461) 9.417 28.354 ( 0.000 4.999 -1.783) 5.308 28.354 ( 0.000 4.999 1.783) 5.308 28.482 ( 0.000 6.767 -1.093) 6.855 28.482 ( 0.000 6.767 1.093) 6.855 31.857 ( 0.000 -0.997 -3.762) 3.892 31.857 ( 0.000 -0.997 3.762) 3.892 32.656 ( 0.000 -2.514 -0.799) 2.638 32.656 ( 0.000 -2.514 0.799) 2.638 84.075 ( 0.000 -4.183 -4.499) 6.143 84.075 ( 0.000 -4.183 4.499) 6.143 86.568 ( 0.000 -18.368 -24.631) 30.726 86.568 ( 0.000 -18.368 24.631) 30.726 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -7.271 4.159 -5.522) 10.033 1.615 ( -7.271 4.159 5.522) 10.033 2.188 ( 0.575 19.599 -8.359) 21.315 2.188 ( 0.575 19.599 8.359) 21.315 2.727 ( 0.603 12.933 -5.447) 14.046 2.727 ( 0.603 12.933 5.447) 14.046 3.044 ( 2.487 5.511 -2.489) 6.538 3.044 ( 2.487 5.511 2.489) 6.538 3.997 ( 4.341 2.318 -4.662) 6.779 3.997 ( 4.341 2.318 4.662) 6.779 5.067 ( -3.022 -3.312 -5.119) 6.804 5.067 ( -3.022 -3.312 5.119) 6.804 7.410 ( 1.640 4.119 -1.448) 4.664 7.410 ( 1.640 4.119 1.448) 4.664 7.660 ( 0.592 4.673 -4.085) 6.235 7.660 ( 0.592 4.673 4.085) 6.235 8.355 ( 0.388 6.576 -2.742) 7.136 8.355 ( 0.388 6.576 2.742) 7.136 8.511 ( -1.360 2.921 -3.207) 4.546 8.511 ( -1.360 2.921 3.207) 4.546 9.876 ( 7.493 -2.321 -4.306) 8.949 9.876 ( 7.493 -2.321 4.306) 8.949 10.534 ( -7.654 -5.563 -10.366) 14.035 10.534 ( -7.654 -5.563 10.366) 14.035 11.893 ( 1.035 -0.258 -2.084) 2.341 11.893 ( 1.035 -0.258 2.084) 2.341 11.964 ( -0.327 5.164 -1.761) 5.466 11.964 ( -0.327 5.164 1.761) 5.466 12.709 ( 0.007 1.715 -4.995) 5.281 12.709 ( 0.007 1.715 4.995) 5.281 13.052 ( -0.545 0.407 -11.483) 11.503 13.052 ( -0.545 0.407 11.483) 11.503 16.649 ( 6.805 -6.268 -4.566) 10.317 16.649 ( 6.805 -6.268 4.566) 10.317 17.207 ( -6.733 -8.939 -1.009) 11.236 17.207 ( -6.733 -8.939 1.009) 11.236 28.354 ( 0.054 5.024 -1.455) 5.230 28.354 ( 0.054 5.024 1.455) 5.230 28.482 ( -0.062 6.736 -0.898) 6.796 28.482 ( -0.062 6.736 0.898) 6.796 31.859 ( 0.216 -1.030 -3.031) 3.209 31.859 ( 0.216 -1.030 3.031) 3.209 32.655 ( -0.047 -2.499 -0.654) 2.584 32.655 ( -0.047 -2.499 0.654) 2.584 84.076 ( 0.114 -4.177 -3.674) 5.565 84.076 ( 0.114 -4.177 3.674) 5.565 86.553 ( -1.431 -18.127 -19.897) 26.955 86.553 ( -1.431 -18.127 19.897) 26.955 ======================= Grid point 389 (126/144) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -4.128 5.342 -2.037) 7.052 1.494 ( -4.128 5.342 2.037) 7.052 2.196 ( 0.211 20.543 -3.348) 20.815 2.196 ( 0.211 20.543 3.348) 20.815 2.736 ( 0.239 13.804 -2.108) 13.966 2.736 ( 0.239 13.804 2.108) 13.966 3.084 ( 1.279 3.441 -1.235) 3.874 3.084 ( 1.279 3.441 1.235) 3.874 4.078 ( 3.084 2.493 -2.665) 4.778 4.078 ( 3.084 2.493 2.665) 4.778 5.010 ( -2.214 -3.433 -2.296) 4.686 5.010 ( -2.214 -3.433 2.296) 4.686 7.438 ( 0.961 7.650 -0.584) 7.733 7.438 ( 0.961 7.650 0.584) 7.733 7.673 ( 0.514 -1.059 -2.100) 2.408 7.673 ( 0.514 -1.059 2.100) 2.408 8.364 ( 0.465 8.015 -1.262) 8.127 8.364 ( 0.465 8.015 1.262) 8.127 8.481 ( -1.283 4.093 -1.897) 4.690 8.481 ( -1.283 4.093 1.897) 4.690 10.069 ( 11.884 -3.181 -7.074) 14.191 10.069 ( 11.884 -3.181 7.074) 14.191 10.341 ( -11.835 -5.473 -9.336) 16.037 10.341 ( -11.835 -5.473 9.336) 16.037 11.914 ( 0.909 3.434 -1.472) 3.845 11.914 ( 0.909 3.434 1.472) 3.845 11.956 ( -0.503 2.190 -1.367) 2.630 11.956 ( -0.503 2.190 1.367) 2.630 12.708 ( -0.057 0.077 -2.210) 2.212 12.708 ( -0.057 0.077 2.210) 2.212 13.044 ( -0.261 1.346 -4.583) 4.784 13.044 ( -0.261 1.346 4.583) 4.784 16.820 ( 10.730 -7.173 -3.161) 13.288 16.820 ( 10.730 -7.173 3.161) 13.288 17.037 ( -10.690 -7.951 -1.420) 13.398 17.037 ( -10.690 -7.951 1.420) 13.398 28.355 ( 0.034 5.064 -0.564) 5.095 28.355 ( 0.034 5.064 0.564) 5.095 28.481 ( -0.039 6.685 -0.352) 6.694 28.481 ( -0.039 6.685 0.352) 6.694 31.863 ( 0.133 -1.084 -1.150) 1.586 31.863 ( 0.133 -1.084 1.150) 1.586 32.654 ( -0.029 -2.476 -0.255) 2.489 32.654 ( -0.029 -2.476 0.255) 2.489 84.078 ( 0.072 -4.169 -1.425) 4.407 84.078 ( 0.072 -4.169 1.425) 4.407 86.528 ( -0.883 -17.740 -7.582) 19.312 86.528 ( -0.883 -17.740 7.582) 19.312 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 7.896 -4.124) 8.908 1.814 ( 0.000 7.896 4.124) 8.908 2.508 ( 0.000 9.537 -5.909) 11.219 2.508 ( 0.000 9.537 5.909) 11.219 3.030 ( 0.000 15.753 -6.956) 17.221 3.030 ( 0.000 15.753 6.956) 17.221 3.293 ( 0.000 20.960 -4.363) 21.409 3.293 ( 0.000 20.960 4.363) 21.409 4.062 ( 0.000 9.963 -1.458) 10.069 4.062 ( 0.000 9.963 1.458) 10.069 5.001 ( 0.000 -6.230 -5.575) 8.360 5.001 ( 0.000 -6.230 5.575) 8.360 7.388 ( 0.000 -2.231 -1.649) 2.774 7.388 ( 0.000 -2.231 1.649) 2.774 7.849 ( 0.000 8.057 -3.032) 8.608 7.849 ( 0.000 8.057 3.032) 8.608 8.433 ( 0.000 2.569 -3.349) 4.221 8.433 ( 0.000 2.569 3.349) 4.221 8.687 ( 0.000 13.373 -2.867) 13.677 8.687 ( 0.000 13.373 2.867) 13.677 9.764 ( 0.000 -1.741 -0.795) 1.914 9.764 ( 0.000 -1.741 0.795) 1.914 10.462 ( 0.000 -8.193 -6.707) 10.588 10.462 ( 0.000 -8.193 6.707) 10.588 11.879 ( 0.000 3.236 -0.214) 3.243 11.879 ( 0.000 3.236 0.214) 3.243 12.171 ( 0.000 12.235 -3.381) 12.694 12.171 ( 0.000 12.235 3.381) 12.694 12.735 ( 0.000 -0.303 -7.728) 7.734 12.735 ( 0.000 -0.303 7.728) 7.734 13.048 ( 0.000 -1.161 -7.185) 7.278 13.048 ( 0.000 -1.161 7.185) 7.278 16.413 ( 0.000 -10.354 -4.379) 11.242 16.413 ( 0.000 -10.354 4.379) 11.242 17.011 ( 0.000 -15.721 -0.074) 15.721 17.011 ( 0.000 -15.721 0.074) 15.721 28.498 ( 0.000 8.948 -2.309) 9.241 28.498 ( 0.000 8.948 2.309) 9.241 28.672 ( 0.000 11.351 -0.565) 11.365 28.672 ( 0.000 11.351 0.565) 11.365 31.830 ( 0.000 -1.500 -3.126) 3.467 31.830 ( 0.000 -1.500 3.126) 3.467 32.582 ( 0.000 -4.635 -0.349) 4.648 32.582 ( 0.000 -4.635 0.349) 4.648 83.960 ( 0.000 -6.749 -2.785) 7.301 83.960 ( 0.000 -6.749 2.785) 7.301 86.066 ( 0.000 -29.340 -17.091) 33.955 86.066 ( 0.000 -29.340 17.091) 33.955 ======================= Grid point 397 (128/144) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -5.700 8.813 -3.207) 10.974 1.749 ( -5.700 8.813 3.207) 10.974 2.544 ( 2.956 10.724 -5.629) 12.467 2.544 ( 2.956 10.724 5.629) 12.467 3.037 ( 0.694 15.177 -5.732) 16.239 3.037 ( 0.694 15.177 5.732) 16.239 3.293 ( -0.035 20.567 -3.896) 20.933 3.293 ( -0.035 20.567 3.896) 20.933 4.107 ( 4.281 9.651 -2.848) 10.935 4.107 ( 4.281 9.651 2.848) 10.935 4.968 ( -3.213 -6.370 -4.929) 8.672 4.968 ( -3.213 -6.370 4.929) 8.672 7.429 ( 4.159 -1.868 -1.884) 4.933 7.429 ( 4.159 -1.868 1.884) 4.933 7.794 ( -5.335 5.476 -3.132) 8.262 7.794 ( -5.335 5.476 3.132) 8.262 8.478 ( 4.118 5.463 -5.480) 8.766 8.478 ( 4.118 5.463 5.480) 8.766 8.678 ( -1.045 13.006 -3.298) 13.458 8.678 ( -1.045 13.006 3.298) 13.458 9.821 ( 6.056 -2.576 -2.058) 6.896 9.821 ( 6.056 -2.576 2.058) 6.896 10.392 ( -7.256 -7.748 -6.775) 12.593 10.392 ( -7.256 -7.748 6.775) 12.593 11.910 ( 3.182 3.749 -2.596) 5.561 11.910 ( 3.182 3.749 2.596) 5.561 12.147 ( -2.480 11.071 -3.563) 11.892 12.147 ( -2.480 11.071 3.563) 11.892 12.728 ( -0.559 0.293 -6.397) 6.428 12.728 ( -0.559 0.293 6.397) 6.428 13.047 ( -0.071 -1.323 -5.805) 5.954 13.047 ( -0.071 -1.323 5.805) 5.954 16.470 ( 5.892 -10.862 -4.060) 13.007 16.470 ( 5.892 -10.862 4.060) 13.007 16.956 ( -5.695 -15.134 -0.838) 16.191 16.956 ( -5.695 -15.134 0.838) 16.191 28.500 ( 0.125 8.996 -1.893) 9.194 28.500 ( 0.125 8.996 1.893) 9.194 28.671 ( -0.144 11.297 -0.499) 11.309 28.671 ( -0.144 11.297 0.499) 11.309 31.832 ( 0.141 -1.542 -2.522) 2.960 31.832 ( 0.141 -1.542 2.522) 2.960 32.582 ( -0.016 -4.618 -0.294) 4.628 32.582 ( -0.016 -4.618 0.294) 4.628 83.962 ( 0.148 -6.714 -2.279) 7.091 83.962 ( 0.148 -6.714 2.279) 7.091 86.056 ( -0.937 -29.094 -13.821) 32.224 86.056 ( -0.937 -29.094 13.821) 32.224 ======================= Grid point 399 (129/144) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -3.096 10.297 -1.156) 10.814 1.656 ( -3.096 10.297 1.156) 10.814 2.588 ( 1.334 12.552 -2.518) 12.871 2.588 ( 1.334 12.552 2.518) 12.871 3.050 ( 0.464 14.405 -2.229) 14.584 3.050 ( 0.464 14.405 2.229) 14.584 3.292 ( -0.053 19.934 -1.688) 20.005 3.292 ( -0.053 19.934 1.688) 20.005 4.188 ( 3.142 9.332 -1.892) 10.027 4.188 ( 3.142 9.332 1.892) 10.027 4.905 ( -2.461 -6.793 -2.283) 7.577 4.905 ( -2.461 -6.793 2.283) 7.577 7.534 ( 6.733 -0.232 -1.866) 6.991 7.534 ( 6.733 -0.232 1.866) 6.991 7.672 ( -7.227 1.095 -2.157) 7.621 7.672 ( -7.227 1.095 2.157) 7.621 8.560 ( 3.923 10.114 -4.941) 11.920 8.560 ( 3.923 10.114 4.941) 11.920 8.644 ( -2.408 11.615 -3.663) 12.415 8.644 ( -2.408 11.615 3.663) 12.415 9.986 ( 11.116 -4.481 -4.501) 12.802 9.986 ( 11.116 -4.481 4.501) 12.802 10.208 ( -11.667 -6.500 -6.349) 14.788 10.208 ( -11.667 -6.500 6.349) 14.788 11.988 ( 4.859 5.458 -3.832) 8.251 11.988 ( 4.859 5.458 3.832) 8.251 12.080 ( -4.529 8.218 -3.824) 10.132 12.080 ( -4.529 8.218 3.824) 10.132 12.719 ( -0.300 1.415 -2.515) 2.901 12.719 ( -0.300 1.415 2.515) 2.901 13.046 ( -0.016 -1.641 -2.211) 2.753 13.046 ( -0.016 -1.641 2.211) 2.753 16.616 ( 8.856 -12.323 -3.022) 15.473 16.616 ( 8.856 -12.323 3.022) 15.473 16.813 ( -8.738 -13.542 -1.809) 16.217 16.813 ( -8.738 -13.542 1.809) 16.217 28.502 ( 0.079 9.078 -0.739) 9.108 28.502 ( 0.079 9.078 0.739) 9.108 28.668 ( -0.091 11.208 -0.217) 11.210 28.668 ( -0.091 11.208 0.217) 11.210 31.834 ( 0.087 -1.610 -0.959) 1.876 31.834 ( 0.087 -1.610 0.959) 1.876 32.581 ( -0.010 -4.592 -0.119) 4.594 32.581 ( -0.010 -4.592 0.119) 4.594 83.964 ( 0.093 -6.657 -0.887) 6.717 83.964 ( 0.093 -6.657 0.887) 6.717 86.040 ( -0.579 -28.700 -5.276) 29.187 86.040 ( -0.579 -28.700 5.276) 29.187 ======================= Grid point 405 (130/144) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 10.907 -0.647) 10.926 2.010 ( 0.000 10.907 0.647) 10.926 2.600 ( 0.000 1.520 -2.930) 3.300 2.600 ( 0.000 1.520 2.930) 3.300 3.201 ( 0.000 1.206 -7.825) 7.918 3.201 ( 0.000 1.206 7.825) 7.918 3.852 ( 0.000 30.221 -6.180) 30.846 3.852 ( 0.000 30.221 6.180) 30.846 4.368 ( 0.000 18.100 -3.294) 18.398 4.368 ( 0.000 18.100 3.294) 18.398 4.860 ( 0.000 -6.388 -3.712) 7.388 4.860 ( 0.000 -6.388 3.712) 7.388 7.322 ( 0.000 -3.926 -2.379) 4.591 7.322 ( 0.000 -3.926 2.379) 4.591 7.908 ( 0.000 -1.758 -4.528) 4.857 7.908 ( 0.000 -1.758 4.528) 4.857 8.489 ( 0.000 2.288 -1.216) 2.592 8.489 ( 0.000 2.288 1.216) 2.592 8.991 ( 0.000 14.947 -3.351) 15.318 8.991 ( 0.000 14.947 3.351) 15.318 9.750 ( 0.000 0.259 -0.314) 0.407 9.750 ( 0.000 0.259 0.314) 0.407 10.296 ( 0.000 -7.534 -2.718) 8.010 10.296 ( 0.000 -7.534 2.718) 8.010 12.026 ( 0.000 10.586 -1.981) 10.769 12.026 ( 0.000 10.586 1.981) 10.769 12.420 ( 0.000 10.307 -1.370) 10.397 12.420 ( 0.000 10.307 1.370) 10.397 12.723 ( 0.000 0.847 -6.612) 6.666 12.723 ( 0.000 0.847 6.612) 6.666 13.008 ( 0.000 -2.433 -1.199) 2.712 13.008 ( 0.000 -2.433 1.199) 2.712 16.178 ( 0.000 -12.148 -3.307) 12.590 16.178 ( 0.000 -12.148 3.307) 12.590 16.662 ( 0.000 -17.702 -1.097) 17.736 16.662 ( 0.000 -17.702 1.097) 17.736 28.707 ( 0.000 11.171 -2.564) 11.461 28.707 ( 0.000 11.171 2.564) 11.461 28.923 ( 0.000 12.739 -0.084) 12.739 28.923 ( 0.000 12.739 0.084) 12.739 31.801 ( 0.000 -1.216 -2.251) 2.559 31.801 ( 0.000 -1.216 2.251) 2.559 32.471 ( 0.000 -6.092 -0.225) 6.096 32.471 ( 0.000 -6.092 0.225) 6.096 83.815 ( 0.000 -7.061 -1.042) 7.137 83.815 ( 0.000 -7.061 1.042) 7.137 85.434 ( 0.000 -31.370 -9.428) 32.757 85.434 ( 0.000 -31.370 9.428) 32.757 ======================= Grid point 407 (131/144) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -4.029 11.768 -1.127) 12.490 1.963 ( -4.029 11.768 1.127) 12.490 2.641 ( 3.433 1.135 -3.002) 4.699 2.641 ( 3.433 1.135 3.002) 4.699 3.214 ( 1.209 2.024 -6.787) 7.184 3.214 ( 1.209 2.024 6.787) 7.184 3.851 ( -0.070 30.370 -4.861) 30.757 3.851 ( -0.070 30.370 4.861) 30.757 4.401 ( 3.379 17.383 -3.289) 18.011 4.401 ( 3.379 17.383 3.289) 18.011 4.822 ( -3.779 -6.603 -3.436) 8.348 4.822 ( -3.779 -6.603 3.436) 8.348 7.364 ( 4.352 -4.005 -2.807) 6.547 7.364 ( 4.352 -4.005 2.807) 6.547 7.822 ( -7.857 -2.228 -5.036) 9.595 7.822 ( -7.857 -2.228 5.036) 9.595 8.578 ( 8.023 3.454 -5.984) 10.588 8.578 ( 8.023 3.454 5.984) 10.588 8.965 ( -2.835 13.487 -4.826) 14.602 8.965 ( -2.835 13.487 4.826) 14.602 9.793 ( 4.619 0.087 -0.364) 4.634 9.793 ( 4.619 0.087 0.364) 4.634 10.245 ( -5.289 -6.122 -2.848) 8.577 10.245 ( -5.289 -6.122 2.848) 8.577 12.054 ( 2.922 9.706 -3.966) 10.885 12.054 ( 2.922 9.706 3.966) 10.885 12.372 ( -4.722 9.529 -3.768) 11.282 12.372 ( -4.722 9.529 3.768) 11.282 12.745 ( 2.027 2.411 -5.089) 5.985 12.745 ( 2.027 2.411 5.089) 5.985 12.998 ( -1.030 -3.026 -1.100) 3.381 12.998 ( -1.030 -3.026 1.100) 3.381 16.225 ( 4.813 -12.609 -3.188) 13.868 16.225 ( 4.813 -12.609 3.188) 13.868 16.619 ( -4.435 -17.125 -1.538) 17.757 16.619 ( -4.435 -17.125 1.538) 17.757 28.709 ( 0.235 11.237 -2.112) 11.436 28.709 ( 0.235 11.237 2.112) 11.436 28.920 ( -0.260 12.672 -0.232) 12.677 28.920 ( -0.260 12.672 0.232) 12.677 31.802 ( 0.076 -1.239 -1.820) 2.203 31.802 ( 0.076 -1.239 1.820) 2.203 32.471 ( 0.005 -6.089 -0.194) 6.092 32.471 ( 0.005 -6.089 0.194) 6.092 83.818 ( 0.253 -6.984 -0.868) 7.042 83.818 ( 0.253 -6.984 0.868) 7.042 85.427 ( -0.605 -31.272 -7.636) 32.196 85.427 ( -0.605 -31.272 7.636) 32.196 ======================= Grid point 409 (132/144) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -2.088 13.097 -0.567) 13.275 1.898 ( -2.088 13.097 0.567) 13.275 2.693 ( 1.619 0.528 -1.404) 2.207 2.693 ( 1.619 0.528 1.404) 2.207 3.237 ( 0.845 3.465 -2.851) 4.566 3.237 ( 0.845 3.465 2.851) 4.566 3.850 ( -0.066 30.610 -1.777) 30.662 3.850 ( -0.066 30.610 1.777) 30.662 4.476 ( 3.563 17.749 -2.090) 18.223 4.476 ( 3.563 17.749 2.090) 18.223 4.740 ( -3.794 -8.529 -2.038) 9.554 4.740 ( -3.794 -8.529 2.038) 9.554 7.475 ( 6.808 -4.323 -3.240) 8.692 7.475 ( 6.808 -4.323 3.240) 8.692 7.660 ( -8.347 -2.633 -4.092) 9.662 7.660 ( -8.347 -2.633 4.092) 9.662 8.739 ( 8.187 6.386 -7.096) 12.576 8.739 ( 8.187 6.386 7.096) 12.576 8.884 ( -5.690 10.065 -6.396) 13.213 8.884 ( -5.690 10.065 6.396) 13.213 9.912 ( 7.195 -1.919 -1.390) 7.576 9.912 ( 7.195 -1.919 1.390) 7.576 10.115 ( -7.512 -2.275 -2.420) 8.213 10.115 ( -7.512 -2.275 2.420) 8.213 12.128 ( 4.553 7.211 -5.037) 9.904 12.128 ( 4.553 7.211 5.037) 9.904 12.267 ( -5.571 10.009 -4.931) 12.471 12.267 ( -5.571 10.009 4.931) 12.471 12.781 ( 1.322 4.802 -1.932) 5.342 12.781 ( 1.322 4.802 1.932) 5.342 12.978 ( -0.812 -4.498 -0.566) 4.606 12.978 ( -0.812 -4.498 0.566) 4.606 16.342 ( 6.863 -13.843 -2.600) 15.668 16.342 ( 6.863 -13.843 2.600) 15.668 16.509 ( -6.632 -15.705 -2.020) 17.167 16.509 ( -6.632 -15.705 2.020) 17.167 28.713 ( 0.152 11.350 -0.832) 11.381 28.713 ( 0.152 11.350 0.832) 11.381 28.916 ( -0.167 12.557 -0.147) 12.559 28.916 ( -0.167 12.557 0.147) 12.559 31.804 ( 0.047 -1.276 -0.694) 1.453 31.804 ( 0.047 -1.276 0.694) 1.453 32.471 ( 0.003 -6.084 -0.080) 6.085 32.471 ( 0.003 -6.084 0.080) 6.085 83.823 ( 0.158 -6.858 -0.347) 6.868 83.823 ( 0.158 -6.858 0.347) 6.868 85.417 ( -0.376 -31.114 -2.922) 31.253 85.417 ( -0.376 -31.114 2.922) 31.253 ======================= Grid point 415 (133/144) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.000 10.599 -3.639) 11.206 2.238 ( 0.000 10.599 3.639) 11.206 2.622 ( 0.000 1.737 -0.138) 1.742 2.622 ( 0.000 1.737 0.138) 1.742 3.138 ( 0.000 -6.266 -7.465) 9.746 3.138 ( 0.000 -6.266 7.465) 9.746 4.313 ( 0.000 4.892 -2.461) 5.476 4.313 ( 0.000 4.892 2.461) 5.476 4.662 ( 0.000 15.639 -7.877) 17.511 4.662 ( 0.000 15.639 7.877) 17.511 4.927 ( 0.000 15.648 -3.549) 16.045 4.927 ( 0.000 15.648 3.549) 16.045 7.239 ( 0.000 -4.044 -2.685) 4.855 7.239 ( 0.000 -4.044 2.685) 4.855 7.826 ( 0.000 -5.346 -6.629) 8.516 7.826 ( 0.000 -5.346 6.629) 8.516 8.508 ( 0.000 -0.243 -0.097) 0.261 8.508 ( 0.000 -0.243 0.097) 0.261 9.236 ( 0.000 7.684 -5.424) 9.405 9.236 ( 0.000 7.684 5.424) 9.405 9.765 ( 0.000 1.443 -0.677) 1.594 9.765 ( 0.000 1.443 0.677) 1.594 10.174 ( 0.000 -4.258 -0.275) 4.267 10.174 ( 0.000 -4.258 0.275) 4.267 12.264 ( 0.000 10.966 -5.352) 12.202 12.264 ( 0.000 10.966 5.352) 12.202 12.498 ( 0.000 -0.975 -6.678) 6.749 12.498 ( 0.000 -0.975 6.678) 6.749 12.854 ( 0.000 10.201 -3.439) 10.765 12.854 ( 0.000 10.201 3.439) 10.765 12.975 ( 0.000 0.334 -2.097) 2.123 12.975 ( 0.000 0.334 2.097) 2.123 15.936 ( 0.000 -11.246 -2.101) 11.440 15.936 ( 0.000 -11.246 2.101) 11.440 16.318 ( 0.000 -15.439 -1.325) 15.496 16.318 ( 0.000 -15.439 1.325) 15.496 28.940 ( 0.000 11.371 -2.486) 11.640 28.940 ( 0.000 11.371 2.486) 11.640 29.171 ( 0.000 11.195 -0.446) 11.204 29.171 ( 0.000 11.195 0.446) 11.204 31.786 ( 0.000 -0.133 -1.303) 1.310 31.786 ( 0.000 -0.133 1.303) 1.310 32.339 ( 0.000 -6.778 -0.746) 6.819 32.339 ( 0.000 -6.778 0.746) 6.819 83.685 ( 0.000 -5.452 -0.021) 5.452 83.685 ( 0.000 -5.452 0.021) 5.452 84.829 ( 0.000 -27.293 -3.838) 27.561 84.829 ( 0.000 -27.293 3.838) 27.561 ======================= Grid point 417 (134/144) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.292 11.884 -3.101) 12.493 2.210 ( -2.292 11.884 3.101) 12.493 2.647 ( 2.000 0.358 -0.719) 2.155 2.647 ( 2.000 0.358 0.719) 2.155 3.168 ( 2.891 -5.366 -6.815) 9.143 3.168 ( 2.891 -5.366 6.815) 9.143 4.311 ( -0.167 3.626 -1.965) 4.128 4.311 ( -0.167 3.626 1.965) 4.128 4.654 ( -0.814 14.877 -6.793) 16.375 4.654 ( -0.814 14.877 6.793) 16.375 4.920 ( -0.690 17.205 -3.462) 17.564 4.920 ( -0.690 17.205 3.462) 17.564 7.278 ( 4.104 -4.179 -3.147) 6.649 7.278 ( 4.104 -4.179 3.147) 6.649 7.741 ( -7.812 -4.960 -6.627) 11.382 7.741 ( -7.812 -4.960 6.627) 11.382 8.605 ( 9.085 -0.438 -5.763) 10.768 8.605 ( 9.085 -0.438 5.763) 10.768 9.169 ( -6.634 5.475 -6.707) 10.908 9.169 ( -6.634 5.475 6.707) 10.908 9.821 ( 5.238 2.624 -1.681) 6.095 9.821 ( 5.238 2.624 1.681) 6.095 10.154 ( -2.098 -2.849 -0.347) 3.555 10.154 ( -2.098 -2.849 0.347) 3.555 12.260 ( -0.386 8.876 -6.017) 10.730 12.260 ( -0.386 8.876 6.017) 10.730 12.483 ( -1.411 1.861 -6.834) 7.222 12.483 ( -1.411 1.861 6.834) 7.222 12.862 ( 0.904 8.023 -3.053) 8.632 12.862 ( 0.904 8.023 3.053) 8.632 12.962 ( -1.306 1.057 -2.085) 2.678 12.962 ( -1.306 1.057 2.085) 2.678 15.975 ( 4.047 -11.503 -2.129) 12.379 15.975 ( 4.047 -11.503 2.129) 12.379 16.285 ( -3.403 -15.012 -1.592) 15.475 16.285 ( -3.403 -15.012 1.592) 15.475 28.944 ( 0.381 11.458 -2.064) 11.649 28.944 ( 0.381 11.458 2.064) 11.649 29.167 ( -0.409 11.106 -0.439) 11.122 29.167 ( -0.409 11.106 0.439) 11.122 31.787 ( 0.064 -0.122 -1.056) 1.065 31.787 ( 0.064 -0.122 1.056) 1.065 32.339 ( -0.011 -6.799 -0.604) 6.826 32.339 ( -0.011 -6.799 0.604) 6.826 83.690 ( 0.446 -5.321 -0.090) 5.340 83.690 ( 0.446 -5.321 0.090) 5.340 84.822 ( -0.567 -27.347 -3.115) 27.529 84.822 ( -0.567 -27.347 3.115) 27.529 ======================= Grid point 419 (135/144) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -1.112 13.666 -1.255) 13.769 2.175 ( -1.112 13.666 1.255) 13.769 2.676 ( 0.829 -1.532 -0.437) 1.796 2.676 ( 0.829 -1.532 0.437) 1.796 3.222 ( 1.979 -3.841 -3.057) 5.293 3.222 ( 1.979 -3.841 3.057) 5.293 4.307 ( -0.166 1.211 -0.781) 1.451 4.307 ( -0.166 1.211 0.781) 1.451 4.639 ( -0.559 13.882 -2.818) 14.176 4.639 ( -0.559 13.882 2.818) 14.176 4.908 ( -0.400 19.743 -1.634) 19.815 4.908 ( -0.400 19.743 1.634) 19.815 7.381 ( 6.106 -4.528 -3.544) 8.387 7.381 ( 6.106 -4.528 3.544) 8.387 7.582 ( -7.836 -4.504 -4.904) 10.283 7.582 ( -7.836 -4.504 4.904) 10.283 8.802 ( 11.050 0.190 -7.543) 13.380 8.802 ( 11.050 0.190 7.543) 13.380 9.010 ( -9.833 2.120 -7.604) 12.610 9.010 ( -9.833 2.120 7.604) 12.610 9.924 ( 4.536 2.807 -1.144) 5.455 9.924 ( 4.536 2.807 1.144) 5.455 10.102 ( -2.833 0.325 -0.529) 2.900 10.102 ( -2.833 0.325 0.529) 2.900 12.253 ( -0.263 4.882 -3.283) 5.889 12.253 ( -0.263 4.882 3.283) 5.889 12.458 ( -0.910 6.884 -3.499) 7.776 12.458 ( -0.910 6.884 3.499) 7.776 12.887 ( 1.515 2.709 -2.170) 3.788 12.887 ( 1.515 2.709 2.170) 3.788 12.931 ( -1.722 4.170 -1.863) 4.881 12.931 ( -1.722 4.170 1.863) 4.881 16.074 ( 5.917 -12.116 -2.045) 13.638 16.074 ( 5.917 -12.116 2.045) 13.638 16.198 ( -5.523 -14.128 -1.882) 15.285 16.198 ( -5.523 -14.128 1.882) 15.285 28.951 ( 0.252 11.615 -0.826) 11.647 28.951 ( 0.252 11.615 0.826) 11.647 29.160 ( -0.269 10.946 -0.218) 10.951 29.160 ( -0.269 10.946 0.218) 10.951 31.788 ( 0.039 -0.102 -0.404) 0.419 31.788 ( 0.039 -0.102 0.404) 0.419 32.338 ( -0.007 -6.834 -0.231) 6.838 32.338 ( -0.007 -6.834 0.231) 6.838 83.698 ( 0.280 -5.102 -0.057) 5.110 83.698 ( 0.280 -5.102 0.057) 5.110 84.812 ( -0.355 -27.440 -1.196) 27.469 84.812 ( -0.355 -27.440 1.196) 27.469 ======================= Grid point 425 (136/144) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.000 3.286 -6.686) 7.450 2.388 ( 0.000 3.286 6.686) 7.450 2.728 ( 0.000 9.482 -1.452) 9.593 2.728 ( 0.000 9.482 1.452) 9.593 2.981 ( 0.000 -8.402 -5.316) 9.942 2.981 ( 0.000 -8.402 5.316) 9.942 4.136 ( 0.000 -14.555 -4.401) 15.206 4.136 ( 0.000 -14.555 4.401) 15.206 5.087 ( 0.000 20.348 -0.272) 20.350 5.087 ( 0.000 20.348 0.272) 20.350 5.268 ( 0.000 15.042 -1.814) 15.151 5.268 ( 0.000 15.042 1.814) 15.151 7.166 ( 0.000 -2.880 -2.175) 3.609 7.166 ( 0.000 -2.881 2.175) 3.609 7.714 ( 0.000 -5.291 -6.714) 8.549 7.714 ( 0.000 -5.291 6.714) 8.549 8.496 ( 0.000 -0.555 -0.281) 0.622 8.496 ( 0.000 -0.555 0.281) 0.622 9.283 ( 0.000 -2.051 -6.073) 6.410 9.283 ( 0.000 -2.051 6.073) 6.410 9.824 ( 0.000 4.030 -2.026) 4.511 9.824 ( 0.000 4.030 2.026) 4.511 10.111 ( 0.000 -2.374 -0.653) 2.462 10.111 ( 0.000 -2.374 0.653) 2.462 12.350 ( 0.000 -2.215 -9.239) 9.500 12.350 ( 0.000 -2.215 9.239) 9.500 12.545 ( 0.000 5.471 -3.286) 6.382 12.545 ( 0.000 5.471 3.286) 6.382 12.972 ( 0.000 3.748 -3.513) 5.137 12.972 ( 0.000 3.748 3.513) 5.137 13.114 ( 0.000 10.044 -3.858) 10.760 13.114 ( 0.000 10.044 3.858) 10.760 15.734 ( 0.000 -8.297 -1.072) 8.366 15.734 ( 0.000 -8.297 1.072) 8.366 16.050 ( 0.000 -10.698 -0.742) 10.723 16.050 ( 0.000 -10.698 0.742) 10.723 29.157 ( 0.000 9.542 -2.064) 9.763 29.157 ( 0.000 9.542 2.064) 9.763 29.366 ( 0.000 7.675 -0.419) 7.686 29.366 ( 0.000 7.675 0.419) 7.686 31.800 ( 0.000 1.471 -0.411) 1.527 31.800 ( 0.000 1.471 0.411) 1.527 32.200 ( 0.000 -6.699 -1.067) 6.783 32.200 ( 0.000 -6.699 1.067) 6.783 83.601 ( 0.000 -2.635 -0.115) 2.638 83.601 ( 0.000 -2.635 0.115) 2.638 84.340 ( 0.000 -20.341 -0.600) 20.349 84.340 ( 0.000 -20.341 0.600) 20.349 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 1.461 5.537 -6.071) 8.346 2.402 ( 1.461 5.537 6.071) 8.346 2.700 ( -2.581 5.697 -2.072) 6.589 2.700 ( -2.581 5.697 2.072) 6.589 3.037 ( 5.074 -6.242 -5.229) 9.594 3.037 ( 5.074 -6.242 5.229) 9.594 4.113 ( -2.219 -15.171 -4.213) 15.901 4.113 ( -2.219 -15.171 4.213) 15.901 5.083 ( -0.426 20.568 -0.264) 20.575 5.083 ( -0.426 20.568 0.264) 20.575 5.270 ( 0.175 15.078 -1.488) 15.152 5.270 ( 0.175 15.078 1.488) 15.152 7.203 ( 3.860 -2.982 -2.601) 5.528 7.203 ( 3.860 -2.982 2.601) 5.528 7.639 ( -7.051 -4.733 -6.317) 10.584 7.639 ( -7.051 -4.733 6.317) 10.584 8.583 ( 8.378 -1.270 -4.462) 9.577 8.583 ( 8.378 -1.270 4.462) 9.577 9.191 ( -8.685 -2.170 -6.208) 10.894 9.191 ( -8.685 -2.170 6.208) 10.894 9.893 ( 5.960 3.865 -1.880) 7.348 9.893 ( 5.960 3.865 1.880) 7.348 10.112 ( 0.021 -1.648 -0.520) 1.728 10.112 ( 0.021 -1.648 0.520) 1.728 12.343 ( -0.730 -0.591 -8.168) 8.221 12.343 ( -0.730 -0.591 8.168) 8.221 12.528 ( -1.532 3.074 -3.634) 5.000 12.528 ( -1.532 3.074 3.634) 5.000 12.977 ( 0.502 4.931 -3.259) 5.932 12.977 ( 0.502 4.931 3.259) 5.932 13.098 ( -1.529 9.205 -3.626) 10.011 13.098 ( -1.529 9.205 3.626) 10.011 15.769 ( 3.622 -8.444 -1.135) 9.258 15.769 ( 3.622 -8.444 1.135) 9.258 16.025 ( -2.628 -10.358 -0.965) 10.730 16.025 ( -2.628 -10.358 0.965) 10.730 29.163 ( 0.593 9.674 -1.743) 9.848 29.163 ( 0.593 9.674 1.743) 9.848 29.360 ( -0.628 7.539 -0.431) 7.577 29.360 ( -0.628 7.539 0.431) 7.577 31.801 ( 0.127 1.529 -0.333) 1.570 31.801 ( 0.127 1.529 0.333) 1.570 32.199 ( -0.085 -6.759 -0.865) 6.814 32.199 ( -0.085 -6.759 0.865) 6.814 83.610 ( 0.795 -2.385 -0.099) 2.516 83.610 ( 0.795 -2.385 0.099) 2.516 84.331 ( -0.825 -20.564 -0.485) 20.587 84.331 ( -0.825 -20.564 0.485) 20.587 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 1.403 10.684 -2.994) 11.184 2.434 ( 1.403 10.684 2.994) 11.184 2.652 ( -1.877 -0.257 -1.425) 2.371 2.652 ( -1.877 -0.257 1.425) 2.371 3.126 ( 3.152 -4.242 -2.516) 5.854 3.126 ( 3.152 -4.242 2.516) 5.854 4.071 ( -1.618 -16.340 -2.074) 16.550 4.071 ( -1.618 -16.340 2.074) 16.550 5.075 ( -0.249 20.911 -0.128) 20.913 5.075 ( -0.249 20.911 0.128) 20.913 5.273 ( 0.100 15.137 -0.579) 15.148 5.273 ( 0.100 15.137 0.579) 15.148 7.301 ( 5.857 -3.121 -3.081) 7.317 7.301 ( 5.857 -3.121 3.081) 7.317 7.491 ( -7.463 -4.174 -4.489) 9.657 7.491 ( -7.463 -4.174 4.489) 9.657 8.776 ( 11.478 -2.115 -6.138) 13.187 8.776 ( 11.478 -2.115 6.138) 13.187 8.996 ( -11.468 -2.452 -6.371) 13.346 8.996 ( -11.468 -2.452 6.371) 13.346 9.996 ( 3.846 3.394 -0.942) 5.215 9.996 ( 3.846 3.394 0.942) 5.215 10.106 ( -0.669 -0.172 -0.287) 0.748 10.106 ( -0.669 -0.172 0.287) 0.748 12.328 ( -0.567 2.495 -3.553) 4.379 12.328 ( -0.567 2.495 3.553) 4.379 12.502 ( -0.883 -1.188 -1.926) 2.429 12.502 ( -0.883 -1.188 1.926) 2.429 12.989 ( 0.573 7.583 -1.884) 7.835 12.989 ( 0.573 7.583 1.884) 7.835 13.069 ( -1.193 7.036 -2.067) 7.430 13.069 ( -1.193 7.036 2.067) 7.430 15.857 ( 5.263 -9.019 -1.231) 10.515 15.857 ( 5.263 -9.019 1.231) 10.515 15.955 ( -4.658 -9.477 -1.207) 10.628 15.955 ( -4.658 -9.477 1.207) 10.628 29.174 ( 0.415 9.945 -0.725) 9.980 29.174 ( 0.415 9.945 0.725) 9.980 29.348 ( -0.437 7.262 -0.233) 7.278 29.348 ( -0.437 7.262 0.233) 7.278 31.803 ( 0.079 1.625 -0.128) 1.632 31.803 ( 0.079 1.625 0.128) 1.632 32.198 ( -0.053 -6.858 -0.331) 6.866 32.198 ( -0.053 -6.858 0.331) 6.866 83.624 ( 0.512 -1.942 -0.041) 2.009 83.624 ( 0.512 -1.942 0.041) 2.009 84.316 ( -0.531 -20.965 -0.185) 20.972 84.316 ( -0.531 -20.965 0.185) 20.972 ======================= Grid point 435 (139/144) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 -0.234 -4.484) 4.490 2.407 ( 0.000 -0.234 4.484) 4.490 2.825 ( 0.000 -6.054 -2.401) 6.513 2.825 ( 0.000 -6.054 2.401) 6.513 2.969 ( 0.000 12.566 -0.507) 12.577 2.969 ( 0.000 12.566 0.507) 12.577 3.823 ( 0.000 -14.836 -3.883) 15.336 3.823 ( 0.000 -14.836 3.883) 15.336 5.418 ( 0.000 11.555 -0.902) 11.591 5.418 ( 0.000 11.555 0.902) 11.591 5.502 ( 0.000 7.507 -0.644) 7.534 5.502 ( 0.000 7.507 0.644) 7.534 7.124 ( 0.000 -1.256 -1.080) 1.656 7.124 ( 0.000 -1.256 1.080) 1.656 7.622 ( 0.000 -3.388 -4.236) 5.424 7.622 ( 0.000 -3.388 4.236) 5.424 8.491 ( 0.000 -0.009 -0.534) 0.534 8.491 ( 0.000 -0.009 0.534) 0.534 9.216 ( 0.000 -3.326 -3.409) 4.763 9.216 ( 0.000 -3.326 3.409) 4.763 9.900 ( 0.000 2.881 -1.226) 3.130 9.900 ( 0.000 2.881 1.226) 3.130 10.069 ( 0.000 -1.736 -0.115) 1.739 10.069 ( 0.000 -1.736 0.115) 1.739 12.295 ( 0.000 -2.219 -5.220) 5.672 12.295 ( 0.000 -2.219 5.220) 5.672 12.620 ( 0.000 1.811 -1.825) 2.571 12.620 ( 0.000 1.811 1.825) 2.571 13.062 ( 0.000 4.126 -1.496) 4.389 13.062 ( 0.000 4.126 1.496) 4.389 13.283 ( 0.000 5.975 -2.418) 6.446 13.283 ( 0.000 5.975 2.418) 6.446 15.606 ( 0.000 -4.062 -0.339) 4.077 15.606 ( 0.000 -4.062 0.339) 4.077 15.884 ( 0.000 -5.536 -0.195) 5.539 15.884 ( 0.000 -5.536 0.195) 5.539 29.316 ( 0.000 5.751 -1.261) 5.888 29.316 ( 0.000 5.751 1.261) 5.888 29.480 ( 0.000 3.479 -0.157) 3.483 29.480 ( 0.000 3.479 0.157) 3.483 31.846 ( 0.000 2.957 -0.288) 2.971 31.846 ( 0.000 2.957 0.288) 2.971 32.071 ( 0.000 -5.724 -1.065) 5.822 32.071 ( 0.000 -5.724 1.065) 5.822 83.579 ( 0.000 0.334 -0.216) 0.397 83.579 ( 0.000 0.334 0.216) 0.397 84.008 ( 0.000 -12.015 -0.627) 12.031 84.008 ( 0.000 -12.015 0.627) 12.031 ======================= Grid point 437 (140/144) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 4.196 0.361 -4.168) 5.925 2.448 ( 4.196 0.361 4.168) 5.925 2.784 ( -4.142 -1.028 -2.042) 4.731 2.784 ( -4.142 -1.028 2.042) 4.731 3.026 ( 5.234 7.681 -2.053) 9.519 3.026 ( 5.234 7.681 2.053) 9.519 3.789 ( -3.370 -15.453 -3.685) 16.240 3.789 ( -3.370 -15.453 3.685) 16.240 5.417 ( -0.091 11.726 -0.738) 11.750 5.417 ( -0.091 11.726 0.738) 11.750 5.503 ( 0.094 7.403 -0.524) 7.422 5.503 ( 0.094 7.403 0.524) 7.422 7.160 ( 3.731 -1.299 -1.364) 4.179 7.160 ( 3.731 -1.299 1.364) 4.179 7.558 ( -6.258 -2.997 -3.875) 7.947 7.558 ( -6.258 -2.997 3.875) 7.947 8.563 ( 7.166 -0.604 -2.413) 7.585 8.563 ( 7.166 -0.604 2.413) 7.585 9.130 ( -8.256 -2.902 -3.438) 9.402 9.130 ( -8.256 -2.902 3.438) 9.402 9.958 ( 5.141 2.303 -1.090) 5.738 9.958 ( 5.141 2.303 1.090) 5.738 10.081 ( 1.110 -1.324 -0.377) 1.769 10.081 ( 1.110 -1.324 0.377) 1.769 12.309 ( 1.583 -1.659 -5.039) 5.536 12.309 ( 1.583 -1.659 5.039) 5.536 12.573 ( -4.566 1.211 -2.480) 5.336 12.573 ( -4.566 1.211 2.480) 5.336 13.080 ( 1.835 4.304 -1.631) 4.954 13.080 ( 1.835 4.304 1.631) 4.954 13.256 ( -2.689 5.663 -2.371) 6.703 13.256 ( -2.689 5.663 2.371) 6.703 15.640 ( 3.371 -4.117 -0.416) 5.337 15.640 ( 3.371 -4.117 0.416) 5.337 15.865 ( -2.056 -5.345 -0.386) 5.739 15.865 ( -2.056 -5.345 0.386) 5.739 29.326 ( 0.958 5.958 -1.113) 6.136 29.326 ( 0.958 5.958 1.113) 6.136 29.470 ( -0.999 3.270 -0.268) 3.429 29.470 ( -0.999 3.270 0.268) 3.429 31.849 ( 0.326 3.134 -0.252) 3.161 31.849 ( 0.326 3.134 0.252) 3.161 32.068 ( -0.285 -5.900 -0.878) 5.972 32.068 ( -0.285 -5.900 0.878) 5.972 83.596 ( 1.568 0.889 -0.241) 1.818 83.596 ( 1.568 0.890 0.241) 1.818 83.991 ( -1.569 -12.563 -0.549) 12.673 83.991 ( -1.569 -12.563 0.549) 12.673 ======================= Grid point 439 (141/144) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 6.658 1.553 -3.314) 7.598 2.553 ( 6.658 1.553 3.314) 7.598 2.681 ( -6.513 1.609 -2.380) 7.118 2.681 ( -6.513 1.609 2.380) 7.118 3.124 ( 3.780 5.733 -1.489) 7.026 3.124 ( 3.780 5.733 1.489) 7.026 3.722 ( -2.751 -17.145 -1.919) 17.470 3.722 ( -2.751 -17.145 1.919) 17.470 5.415 ( -0.053 11.991 -0.288) 11.995 5.415 ( -0.053 11.991 0.288) 11.995 5.504 ( 0.055 7.243 -0.203) 7.246 5.504 ( 0.055 7.243 0.203) 7.246 7.258 ( 6.239 -1.190 -1.907) 6.632 7.258 ( 6.239 -1.190 1.907) 6.632 7.419 ( -7.604 -2.716 -2.838) 8.559 7.419 ( -7.604 -2.716 2.838) 8.559 8.735 ( 10.616 -1.569 -3.400) 11.257 8.735 ( 10.616 -1.569 3.400) 11.257 8.942 ( -11.059 -2.292 -3.533) 11.834 8.942 ( -11.059 -2.292 3.533) 11.834 10.047 ( 3.305 1.563 -0.588) 3.703 10.047 ( 3.305 1.563 0.588) 3.703 10.096 ( 0.173 -0.610 -0.339) 0.719 10.096 ( 0.173 -0.610 0.339) 0.719 12.355 ( 3.107 0.355 -3.886) 4.988 12.355 ( 3.107 0.355 3.886) 4.988 12.475 ( -4.933 -0.840 -2.968) 5.818 12.475 ( -4.933 -0.840 2.968) 5.818 13.126 ( 2.890 4.903 -1.835) 5.980 13.126 ( 2.890 4.903 1.835) 5.980 13.194 ( -3.461 4.834 -2.117) 6.311 13.194 ( -3.461 4.834 2.117) 6.311 15.718 ( 4.445 -4.317 -0.500) 6.217 15.718 ( 4.445 -4.317 0.500) 6.217 15.809 ( -3.648 -4.930 -0.513) 6.155 15.809 ( -3.648 -4.930 0.513) 6.155 29.345 ( 0.821 6.583 -0.537) 6.656 29.345 ( 0.821 6.583 0.537) 6.656 29.449 ( -0.847 2.639 -0.227) 2.781 29.449 ( -0.847 2.639 0.227) 2.781 31.855 ( 0.211 3.454 -0.109) 3.462 31.855 ( 0.211 3.454 0.109) 3.462 32.063 ( -0.186 -6.219 -0.347) 6.232 32.063 ( -0.186 -6.219 0.347) 6.232 83.625 ( 1.140 2.167 -0.139) 2.452 83.625 ( 1.140 2.167 0.139) 2.452 83.961 ( -1.141 -13.828 -0.246) 13.878 83.961 ( -1.141 -13.828 0.246) 13.878 ======================= Grid point 445 (142/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 -0.000 0.000) 0.000 3.628 ( 0.000 -0.000 0.000) 0.000 5.543 ( 0.000 -0.000 0.000) 0.000 5.543 ( 0.000 -0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 -0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 -0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 -0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 0.000 -0.000) 0.000 13.345 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 29.377 ( 0.000 0.000 0.000) 0.000 29.377 ( 0.000 0.000 0.000) 0.000 29.513 ( 0.000 0.000 0.000) 0.000 29.513 ( 0.000 0.000 0.000) 0.000 31.895 ( 0.000 0.000 0.000) 0.000 31.895 ( 0.000 -0.000 0.000) 0.000 31.994 ( 0.000 0.000 0.000) 0.000 31.994 ( 0.000 0.000 0.000) 0.000 83.592 ( 0.000 0.000 0.000) 0.000 83.592 ( 0.000 0.000 0.000) 0.000 83.875 ( 0.000 0.000 0.000) 0.000 83.875 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 449 (143/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 4.721 0.000 0.000) 4.721 2.449 ( 4.721 0.000 0.000) 4.721 2.752 ( -1.438 0.000 0.000) 1.438 2.752 ( -1.438 0.000 0.000) 1.438 3.172 ( 3.752 0.000 0.000) 3.752 3.172 ( 3.752 0.000 0.000) 3.752 3.580 ( -4.989 -0.000 0.000) 4.989 3.580 ( -4.989 -0.000 0.000) 4.989 5.546 ( 0.309 -0.000 0.000) 0.309 5.546 ( 0.309 0.000 0.000) 0.309 5.570 ( -0.248 0.000 0.000) 0.248 5.570 ( -0.248 0.000 0.000) 0.248 7.147 ( 3.705 0.000 -0.000) 3.705 7.147 ( 3.705 0.000 0.000) 3.705 7.526 ( -5.929 0.000 -0.000) 5.929 7.526 ( -5.929 0.000 0.000) 5.929 8.557 ( 6.587 0.000 0.000) 6.587 8.557 ( 6.587 0.000 0.000) 6.587 9.097 ( -7.862 0.000 0.000) 7.862 9.097 ( -7.862 0.000 0.000) 7.862 9.983 ( 4.568 0.000 0.000) 4.568 9.983 ( 4.568 0.000 0.000) 4.568 10.066 ( 1.557 0.000 0.000) 1.557 10.066 ( 1.557 0.000 0.000) 1.557 12.291 ( 2.162 0.000 0.000) 2.162 12.291 ( 2.162 0.000 0.000) 2.162 12.584 ( -5.090 0.000 0.000) 5.090 12.584 ( -5.090 0.000 0.000) 5.090 13.127 ( 1.930 0.000 0.000) 1.930 13.127 ( 1.930 0.000 0.000) 1.930 13.315 ( -2.995 0.000 0.000) 2.995 13.315 ( -2.995 0.000 0.000) 2.995 15.599 ( 3.326 0.000 0.000) 3.326 15.599 ( 3.326 0.000 0.000) 3.326 15.809 ( -1.875 0.000 0.000) 1.875 15.809 ( -1.875 0.000 0.000) 1.875 29.390 ( 1.321 0.000 0.000) 1.321 29.390 ( 1.321 0.000 0.000) 1.321 29.500 ( -1.366 -0.000 0.000) 1.366 29.500 ( -1.366 0.000 0.000) 1.366 31.905 ( 0.991 -0.000 0.000) 0.991 31.905 ( 0.991 0.000 0.000) 0.991 31.984 ( -0.949 0.000 0.000) 0.949 31.984 ( -0.949 0.000 0.000) 0.949 83.619 ( 2.790 0.000 0.000) 2.790 83.619 ( 2.790 0.000 0.000) 2.790 83.848 ( -2.785 0.000 0.000) 2.785 83.848 ( -2.785 0.000 0.000) 2.785 ======================= Grid point 453 (144/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 6.971 0.000 0.000) 6.971 2.564 ( 6.971 0.000 0.000) 6.971 2.687 ( -5.512 0.000 -0.000) 5.512 2.687 ( -5.512 0.000 0.000) 5.512 3.288 ( 8.199 0.000 0.000) 8.199 3.288 ( 8.199 0.000 0.000) 8.199 3.451 ( -8.407 -0.000 0.000) 8.407 3.451 ( -8.407 0.000 0.000) 8.407 5.554 ( 0.480 -0.000 0.000) 0.480 5.554 ( 0.480 -0.000 0.000) 0.480 5.563 ( -0.443 0.000 0.000) 0.443 5.563 ( -0.443 0.000 0.000) 0.443 7.247 ( 6.761 0.000 -0.000) 6.761 7.247 ( 6.761 0.000 0.000) 6.761 7.389 ( -8.000 0.000 -0.000) 8.000 7.389 ( -8.000 0.000 0.000) 8.000 8.719 ( 10.085 0.000 0.000) 10.085 8.719 ( 10.085 0.000 0.000) 10.085 8.917 ( -10.657 0.000 0.000) 10.657 8.917 ( -10.657 0.000 0.000) 10.657 10.062 ( 3.161 0.000 0.000) 3.161 10.062 ( 3.161 0.000 0.000) 3.161 10.088 ( 0.311 0.000 0.000) 0.311 10.088 ( 0.311 0.000 0.000) 0.311 12.357 ( 4.865 0.000 0.000) 4.865 12.357 ( 4.865 0.000 0.000) 4.865 12.468 ( -6.652 0.000 0.000) 6.652 12.468 ( -6.652 0.000 0.000) 6.652 13.177 ( 3.291 0.000 0.000) 3.291 13.177 ( 3.291 0.000 0.000) 3.291 13.246 ( -3.987 0.000 0.000) 3.987 13.246 ( -3.987 0.000 0.000) 3.987 15.677 ( 4.551 0.000 0.000) 4.551 15.677 ( 4.551 0.000 0.000) 4.551 15.757 ( -3.674 -0.000 0.000) 3.674 15.757 ( -3.674 0.000 0.000) 3.674 29.424 ( 2.158 0.000 0.000) 2.158 29.424 ( 2.158 0.000 0.000) 2.158 29.466 ( -2.186 -0.000 0.000) 2.186 29.466 ( -2.186 -0.000 0.000) 2.186 31.930 ( 1.581 -0.000 0.000) 1.581 31.930 ( 1.581 -0.000 0.000) 1.581 31.960 ( -1.555 0.000 0.000) 1.555 31.960 ( -1.555 0.000 0.000) 1.555 83.690 ( 4.512 -0.000 0.000) 4.512 83.690 ( 4.512 0.000 0.000) 4.512 83.778 ( -4.509 -0.000 0.000) 4.509 83.778 ( -4.509 0.000 0.000) 4.509 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 1172.494 1494.925 1024.439 0.000 0.000 0.000 3/33600 20.0 290.647 533.876 336.468 0.000 0.000 -0.000 3/33600 30.0 145.073 330.143 163.478 0.000 0.000 0.000 3/33600 40.0 94.313 238.902 101.731 0.000 0.000 0.000 3/33600 50.0 68.527 184.527 71.771 0.000 0.000 0.000 3/33600 60.0 52.585 146.283 54.065 0.000 0.000 0.000 3/33600 70.0 41.753 117.937 42.406 0.000 0.000 0.000 3/33600 80.0 34.035 96.660 34.259 0.000 0.000 0.000 3/33600 90.0 28.367 80.576 28.351 0.000 0.000 0.000 3/33600 100.0 24.105 68.297 23.948 0.000 0.000 0.000 3/33600 110.0 20.833 58.802 20.592 0.000 0.000 0.000 3/33600 120.0 18.271 51.352 17.982 0.000 0.000 0.000 3/33600 130.0 16.228 45.419 15.915 0.000 0.000 0.000 3/33600 140.0 14.573 40.622 14.249 0.000 0.000 0.000 3/33600 150.0 13.212 36.690 12.887 0.000 0.000 0.000 3/33600 160.0 12.076 33.423 11.757 0.000 0.000 0.000 3/33600 170.0 11.117 30.676 10.807 0.000 0.000 0.000 3/33600 180.0 10.298 28.339 9.999 0.000 0.000 0.000 3/33600 190.0 9.592 26.332 9.305 0.000 0.000 0.000 3/33600 200.0 8.977 24.591 8.703 0.000 0.000 0.000 3/33600 210.0 8.437 23.069 8.175 0.000 0.000 0.000 3/33600 220.0 7.959 21.727 7.710 0.000 0.000 0.000 3/33600 230.0 7.534 20.537 7.296 0.000 0.000 0.000 3/33600 240.0 7.152 19.473 6.926 0.000 0.000 0.000 3/33600 250.0 6.809 18.518 6.593 0.000 0.000 0.000 3/33600 260.0 6.498 17.656 6.292 0.000 0.000 0.000 3/33600 270.0 6.214 16.873 6.018 0.000 0.000 0.000 3/33600 280.0 5.956 16.159 5.767 0.000 0.000 0.000 3/33600 290.0 5.718 15.506 5.538 0.000 0.000 0.000 3/33600 300.0 5.499 14.905 5.327 0.000 0.000 0.000 3/33600 310.0 5.297 14.352 5.132 0.000 0.000 0.000 3/33600 320.0 5.110 13.839 4.951 0.000 0.000 0.000 3/33600 330.0 4.936 13.364 4.783 0.000 0.000 0.000 3/33600 340.0 4.773 12.922 4.626 0.000 0.000 0.000 3/33600 350.0 4.622 12.509 4.480 0.000 0.000 0.000 3/33600 360.0 4.479 12.123 4.343 0.000 0.000 0.000 3/33600 370.0 4.346 11.761 4.214 0.000 0.000 0.000 3/33600 380.0 4.221 11.421 4.093 0.000 0.000 0.000 3/33600 390.0 4.102 11.101 3.979 0.000 0.000 0.000 3/33600 400.0 3.991 10.799 3.871 0.000 0.000 0.000 3/33600 410.0 3.885 10.514 3.769 0.000 0.000 0.000 3/33600 420.0 3.785 10.244 3.672 0.000 0.000 0.000 3/33600 430.0 3.690 9.988 3.581 0.000 0.000 0.000 3/33600 440.0 3.600 9.745 3.494 0.000 0.000 0.000 3/33600 450.0 3.514 9.514 3.411 0.000 0.000 0.000 3/33600 460.0 3.433 9.294 3.332 0.000 0.000 0.000 3/33600 470.0 3.355 9.084 3.256 0.000 0.000 0.000 3/33600 480.0 3.280 8.884 3.184 0.000 0.000 0.000 3/33600 490.0 3.209 8.693 3.116 0.000 0.000 0.000 3/33600 500.0 3.141 8.510 3.050 0.000 0.000 0.000 3/33600 510.0 3.076 8.334 2.987 0.000 0.000 0.000 3/33600 520.0 3.014 8.166 2.926 0.000 0.000 0.000 3/33600 530.0 2.954 8.005 2.868 0.000 0.000 0.000 3/33600 540.0 2.896 7.850 2.812 0.000 0.000 0.000 3/33600 550.0 2.841 7.701 2.758 0.000 0.000 0.000 3/33600 560.0 2.787 7.558 2.707 0.000 0.000 0.000 3/33600 570.0 2.736 7.420 2.657 0.000 0.000 0.000 3/33600 580.0 2.687 7.288 2.609 0.000 0.000 0.000 3/33600 590.0 2.639 7.160 2.562 0.000 0.000 0.000 3/33600 600.0 2.593 7.036 2.518 0.000 0.000 0.000 3/33600 610.0 2.548 6.917 2.475 0.000 0.000 0.000 3/33600 620.0 2.506 6.801 2.433 0.000 0.000 0.000 3/33600 630.0 2.464 6.690 2.393 0.000 0.000 0.000 3/33600 640.0 2.424 6.582 2.353 0.000 0.000 0.000 3/33600 650.0 2.385 6.478 2.316 0.000 0.000 0.000 3/33600 660.0 2.347 6.377 2.279 0.000 0.000 0.000 3/33600 670.0 2.311 6.279 2.244 0.000 0.000 0.000 3/33600 680.0 2.276 6.184 2.209 0.000 0.000 0.000 3/33600 690.0 2.241 6.092 2.176 0.000 0.000 0.000 3/33600 700.0 2.208 6.002 2.143 0.000 0.000 0.000 3/33600 710.0 2.176 5.915 2.112 0.000 0.000 0.000 3/33600 720.0 2.145 5.831 2.081 0.000 0.000 0.000 3/33600 730.0 2.114 5.749 2.052 0.000 0.000 0.000 3/33600 740.0 2.084 5.670 2.023 0.000 0.000 0.000 3/33600 750.0 2.056 5.592 1.995 0.000 0.000 0.000 3/33600 760.0 2.028 5.517 1.967 0.000 0.000 0.000 3/33600 770.0 2.000 5.443 1.941 0.000 0.000 0.000 3/33600 780.0 1.974 5.372 1.915 0.000 0.000 0.000 3/33600 790.0 1.948 5.302 1.889 0.000 0.000 0.000 3/33600 800.0 1.923 5.235 1.865 0.000 0.000 0.000 3/33600 810.0 1.898 5.169 1.841 0.000 0.000 0.000 3/33600 820.0 1.874 5.104 1.818 0.000 0.000 0.000 3/33600 830.0 1.851 5.041 1.795 0.000 0.000 0.000 3/33600 840.0 1.828 4.980 1.773 0.000 0.000 0.000 3/33600 850.0 1.806 4.920 1.751 0.000 0.000 0.000 3/33600 860.0 1.784 4.862 1.730 0.000 0.000 0.000 3/33600 870.0 1.763 4.805 1.709 0.000 0.000 0.000 3/33600 880.0 1.742 4.749 1.689 0.000 0.000 0.000 3/33600 890.0 1.722 4.695 1.669 0.000 0.000 0.000 3/33600 900.0 1.703 4.641 1.650 0.000 0.000 0.000 3/33600 910.0 1.683 4.589 1.631 0.000 0.000 0.000 3/33600 920.0 1.664 4.539 1.612 0.000 0.000 0.000 3/33600 930.0 1.646 4.489 1.594 0.000 0.000 0.000 3/33600 940.0 1.628 4.440 1.577 0.000 0.000 0.000 3/33600 950.0 1.610 4.393 1.560 0.000 0.000 0.000 3/33600 960.0 1.593 4.346 1.543 0.000 0.000 0.000 3/33600 970.0 1.576 4.300 1.526 0.000 0.000 0.000 3/33600 980.0 1.559 4.256 1.510 0.000 0.000 0.000 3/33600 990.0 1.543 4.212 1.494 0.000 0.000 0.000 3/33600 1000.0 1.527 4.169 1.479 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m51410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:48:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|